Merge remote-tracking branch 'origin/development' into 19-NewStylePhenopowerlaw
This commit is contained in:
commit
8ccec40e35
|
@ -151,6 +151,13 @@ Spectral_geometryPacking:
|
||||||
- release
|
- release
|
||||||
|
|
||||||
###################################################################################################
|
###################################################################################################
|
||||||
|
Post_AverageDown:
|
||||||
|
stage: postprocessing
|
||||||
|
script: averageDown/test.py
|
||||||
|
except:
|
||||||
|
- master
|
||||||
|
- release
|
||||||
|
|
||||||
Post_General:
|
Post_General:
|
||||||
stage: postprocessing
|
stage: postprocessing
|
||||||
script: PostProcessing/test.py
|
script: PostProcessing/test.py
|
||||||
|
@ -193,6 +200,13 @@ Post_ParaviewRelated:
|
||||||
- master
|
- master
|
||||||
- release
|
- release
|
||||||
|
|
||||||
|
Post_OrientationConversion:
|
||||||
|
stage: postprocessing
|
||||||
|
script: OrientationConversion/test.py
|
||||||
|
except:
|
||||||
|
- master
|
||||||
|
- release
|
||||||
|
|
||||||
###################################################################################################
|
###################################################################################################
|
||||||
Compile_Spectral_Intel:
|
Compile_Spectral_Intel:
|
||||||
stage: compilePETScIntel
|
stage: compilePETScIntel
|
||||||
|
@ -243,6 +257,13 @@ Compile_Intel_Prepare:
|
||||||
- release
|
- release
|
||||||
|
|
||||||
###################################################################################################
|
###################################################################################################
|
||||||
|
Thermal:
|
||||||
|
stage: spectral
|
||||||
|
script: Thermal/test.py
|
||||||
|
except:
|
||||||
|
- master
|
||||||
|
- release
|
||||||
|
|
||||||
Spectral_PackedGeometry:
|
Spectral_PackedGeometry:
|
||||||
stage: spectral
|
stage: spectral
|
||||||
script: Spectral_PackedGeometry/test.py
|
script: Spectral_PackedGeometry/test.py
|
||||||
|
@ -343,13 +364,6 @@ Phenopowerlaw_singleSlip:
|
||||||
- master
|
- master
|
||||||
- release
|
- release
|
||||||
|
|
||||||
HybridIA:
|
|
||||||
stage: spectral
|
|
||||||
script: HybridIA/test.py
|
|
||||||
except:
|
|
||||||
- master
|
|
||||||
- release
|
|
||||||
|
|
||||||
TextureComponents:
|
TextureComponents:
|
||||||
stage: spectral
|
stage: spectral
|
||||||
script: TextureComponents/test.py
|
script: TextureComponents/test.py
|
||||||
|
@ -423,14 +437,6 @@ SpectralExample:
|
||||||
only:
|
only:
|
||||||
- development
|
- development
|
||||||
|
|
||||||
AbaqusExample:
|
|
||||||
stage: example
|
|
||||||
script:
|
|
||||||
- module load $IntelAbaqus $Abaqus
|
|
||||||
- Abaqus_example/test.py
|
|
||||||
only:
|
|
||||||
- development
|
|
||||||
|
|
||||||
###################################################################################################
|
###################################################################################################
|
||||||
SpectralRuntime:
|
SpectralRuntime:
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||||||
stage: performance
|
stage: performance
|
||||||
|
|
|
@ -47,7 +47,7 @@ linker:
|
||||||
|
|
||||||
# CMake will execute each target in the ${petsc_config_makefile}
|
# CMake will execute each target in the ${petsc_config_makefile}
|
||||||
# to acquire corresponding PETSc Variables.
|
# to acquire corresponding PETSc Variables.
|
||||||
find_program (MAKE_EXECUTABLE NAMES make gmake)
|
find_program (MAKE_EXECUTABLE NAMES gmake make)
|
||||||
# Find the PETSc includes directory settings
|
# Find the PETSc includes directory settings
|
||||||
execute_process (COMMAND ${MAKE_EXECUTABLE} --no-print-directory -f ${petsc_config_makefile} "includes"
|
execute_process (COMMAND ${MAKE_EXECUTABLE} --no-print-directory -f ${petsc_config_makefile} "includes"
|
||||||
RESULT_VARIABLE PETSC_INCLUDES_RETURN
|
RESULT_VARIABLE PETSC_INCLUDES_RETURN
|
||||||
|
|
2
PRIVATE
2
PRIVATE
|
@ -1 +1 @@
|
||||||
Subproject commit ee5a63d34abbac295207354fddf30e6d7cc258cd
|
Subproject commit 7f22579bf986795e307c471834eeff0806d0ac84
|
File diff suppressed because it is too large
Load Diff
Binary file not shown.
|
@ -1,23 +0,0 @@
|
||||||
# Save by m.diehl on 2017_12_06-18.38.26; build 2017 2016_09_27-23.54.59 126836
|
|
||||||
from abaqus import *
|
|
||||||
upgradeMdb(
|
|
||||||
'/nethome/storage/raid4/m.diehl/DAMASK/examples/AbaqusStandard/SX_PX_compression-6.9-1.cae'
|
|
||||||
,
|
|
||||||
'/nethome/storage/raid4/m.diehl/DAMASK/examples/AbaqusStandard/SX_PX_compression.cae')
|
|
||||||
# Save by m.diehl on 2017_12_06-18.38.26; build 2017 2016_09_27-23.54.59 126836
|
|
||||||
from part import *
|
|
||||||
from material import *
|
|
||||||
from section import *
|
|
||||||
from assembly import *
|
|
||||||
from step import *
|
|
||||||
from interaction import *
|
|
||||||
from load import *
|
|
||||||
from mesh import *
|
|
||||||
from optimization import *
|
|
||||||
from job import *
|
|
||||||
from sketch import *
|
|
||||||
from visualization import *
|
|
||||||
from connectorBehavior import *
|
|
||||||
mdb.jobs['Job_sx-px'].setValues(description='compression', userSubroutine=
|
|
||||||
'$HOME/DAMASK/src/DAMASK_abaqus_std.f')
|
|
||||||
# Save by m.diehl on 2017_12_06-18.39.44; build 2017 2016_09_27-23.54.59 126836
|
|
|
@ -1,93 +0,0 @@
|
||||||
#-------------------#
|
|
||||||
<homogenization>
|
|
||||||
#-------------------#
|
|
||||||
|
|
||||||
[dummy]
|
|
||||||
mech none
|
|
||||||
|
|
||||||
[poly]
|
|
||||||
mech isostrain
|
|
||||||
Nconstituents 10
|
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
#-------------------#
|
|
||||||
<microstructure>
|
|
||||||
#-------------------#
|
|
||||||
|
|
||||||
|
|
||||||
[Aluminum_001]
|
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 1 fraction 1.0
|
|
||||||
|
|
||||||
[Aluminum_10]
|
|
||||||
crystallite 1
|
|
||||||
(constituent) phase 1 texture 2 fraction 1.0
|
|
||||||
|
|
||||||
#-------------------#
|
|
||||||
<crystallite>
|
|
||||||
#-------------------#
|
|
||||||
|
|
||||||
[orientation]
|
|
||||||
(output) eulerangles
|
|
||||||
(output) grainrotation # deviation from initial orientation as axis (1-3) and angle in degree (4)
|
|
||||||
|
|
||||||
#-------------------#
|
|
||||||
<phase>
|
|
||||||
#-------------------#
|
|
||||||
|
|
||||||
|
|
||||||
[Aluminum_phenopowerlaw]
|
|
||||||
# slip only
|
|
||||||
elasticity hooke
|
|
||||||
plasticity phenopowerlaw
|
|
||||||
|
|
||||||
(output) resistance_slip
|
|
||||||
(output) shearrate_slip
|
|
||||||
(output) resolvedstress_slip
|
|
||||||
(output) totalshear
|
|
||||||
(output) resistance_twin
|
|
||||||
(output) shearrate_twin
|
|
||||||
(output) resolvedstress_twin
|
|
||||||
(output) totalvolfrac
|
|
||||||
|
|
||||||
lattice_structure fcc
|
|
||||||
Nslip 12
|
|
||||||
Ntwin 0
|
|
||||||
|
|
||||||
c11 106.75e9
|
|
||||||
c12 60.41e9
|
|
||||||
c44 28.34e9
|
|
||||||
|
|
||||||
gdot0_slip 0.001
|
|
||||||
n_slip 20
|
|
||||||
tau0_slip 31e6 # per family
|
|
||||||
tausat_slip 63e6 # per family
|
|
||||||
a_slip 2.25
|
|
||||||
gdot0_twin 0.001
|
|
||||||
n_twin 20
|
|
||||||
tau0_twin 31e6 # per family
|
|
||||||
s_pr 0 # push-up factor for slip saturation due to twinning
|
|
||||||
twin_b 0
|
|
||||||
twin_c 0
|
|
||||||
twin_d 0
|
|
||||||
twin_e 0
|
|
||||||
h0_slipslip 75e6
|
|
||||||
h0_sliptwin 0
|
|
||||||
h0_twinslip 0
|
|
||||||
h0_twintwin 0
|
|
||||||
interaction_slipslip 1 1 1.4 1.4 1.4 1.4
|
|
||||||
interaction_sliptwin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
|
|
||||||
interaction_twinslip 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
|
|
||||||
interaction_twintwin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
|
|
||||||
atol_resistance 1
|
|
||||||
|
|
||||||
|
|
||||||
#-------------------#
|
|
||||||
<texture>
|
|
||||||
#-------------------#
|
|
||||||
|
|
||||||
[001]
|
|
||||||
(gauss) phi1 0.000 Phi 45.000 phi2 0.000 scatter 0.000 fraction 1.000
|
|
||||||
|
|
||||||
[random]
|
|
|
@ -1 +0,0 @@
|
||||||
fixed_seed 1697667030
|
|
|
@ -27,15 +27,22 @@ class Rodrigues:
|
||||||
|
|
||||||
# ******************************************************************************************
|
# ******************************************************************************************
|
||||||
class Quaternion:
|
class Quaternion:
|
||||||
"""
|
u"""
|
||||||
Orientation represented as unit quaternion.
|
Orientation represented as unit quaternion.
|
||||||
|
|
||||||
All methods and naming conventions based on http://www.euclideanspace.com/maths/algebra/realNormedAlgebra/quaternions.
|
All methods and naming conventions based on Rowenhorst_etal2015
|
||||||
|
Convention 1: coordinate frames are right-handed
|
||||||
|
Convention 2: a rotation angle ω is taken to be positive for a counterclockwise rotation
|
||||||
|
when viewing from the end point of the rotation axis unit vector towards the origin
|
||||||
|
Convention 3: rotations will be interpreted in the passive sense
|
||||||
|
Convention 4: Euler angle triplets are implemented using the Bunge convention,
|
||||||
|
with the angular ranges as [0, 2π],[0, π],[0, 2π]
|
||||||
|
Convention 5: the rotation angle ω is limited to the interval [0, π]
|
||||||
|
|
||||||
w is the real part, (x, y, z) are the imaginary parts.
|
w is the real part, (x, y, z) are the imaginary parts.
|
||||||
Representation of rotation is in ACTIVE form!
|
|
||||||
(Derived directly or through angleAxis, Euler angles, or active matrix)
|
Vector "a" (defined in coordinate system "A") is passively rotated
|
||||||
Vector "a" (defined in coordinate system "A") is actively rotated to new coordinates "b".
|
resulting in new coordinates "b" when expressed in system "B".
|
||||||
b = Q * a
|
b = Q * a
|
||||||
b = np.dot(Q.asMatrix(),a)
|
b = np.dot(Q.asMatrix(),a)
|
||||||
"""
|
"""
|
||||||
|
@ -309,10 +316,12 @@ class Quaternion:
|
||||||
return np.outer([i for i in self],[i for i in self])
|
return np.outer([i for i in self],[i for i in self])
|
||||||
|
|
||||||
def asMatrix(self):
|
def asMatrix(self):
|
||||||
return np.array(
|
qbarhalf = 0.5*(self.w**2 - self.x**2 - self.y**2 - self.z**2)
|
||||||
[[1.0-2.0*(self.y*self.y+self.z*self.z), 2.0*(self.x*self.y-self.z*self.w), 2.0*(self.x*self.z+self.y*self.w)],
|
return 2.0*np.array(
|
||||||
[ 2.0*(self.x*self.y+self.z*self.w), 1.0-2.0*(self.x*self.x+self.z*self.z), 2.0*(self.y*self.z-self.x*self.w)],
|
[[ qbarhalf + self.x**2 , self.x*self.y - self.w*self.z, self.x*self.z + self.w*self.y],
|
||||||
[ 2.0*(self.x*self.z-self.y*self.w), 2.0*(self.x*self.w+self.y*self.z), 1.0-2.0*(self.x*self.x+self.y*self.y)]])
|
[ self.x*self.y + self.w*self.z, qbarhalf + self.y**2 , self.y*self.z - self.w*self.x],
|
||||||
|
[ self.x*self.z - self.w*self.y, self.y*self.z + self.w*self.x, qbarhalf + self.z**2 ],
|
||||||
|
])
|
||||||
|
|
||||||
def asAngleAxis(self,
|
def asAngleAxis(self,
|
||||||
degrees = False):
|
degrees = False):
|
||||||
|
@ -335,52 +344,23 @@ class Quaternion:
|
||||||
return np.inf*np.ones(3) if self.w == 0.0 else np.array([self.x, self.y, self.z])/self.w
|
return np.inf*np.ones(3) if self.w == 0.0 else np.array([self.x, self.y, self.z])/self.w
|
||||||
|
|
||||||
def asEulers(self,
|
def asEulers(self,
|
||||||
type = "bunge",
|
degrees = False):
|
||||||
degrees = False,
|
"""Orientation as Bunge-Euler angles."""
|
||||||
standardRange = False):
|
q03 = self.w**2+self.z**2
|
||||||
"""
|
q12 = self.x**2+self.y**2
|
||||||
Orientation as Bunge-Euler angles.
|
chi = np.sqrt(q03*q12)
|
||||||
|
|
||||||
Conversion of ACTIVE rotation to Euler angles taken from:
|
if abs(chi) < 1e-10 and abs(q12) < 1e-10:
|
||||||
Melcher, A.; Unser, A.; Reichhardt, M.; Nestler, B.; Poetschke, M.; Selzer, M.
|
eulers = np.array([math.atan2(-2*self.w*self.z,self.w**2-self.z**2),0,0])
|
||||||
Conversion of EBSD data by a quaternion based algorithm to be used for grain structure simulations
|
elif abs(chi) < 1e-10 and abs(q03) < 1e-10:
|
||||||
Technische Mechanik 30 (2010) pp 401--413.
|
eulers = np.array([math.atan2( 2*self.x*self.y,self.x**2-self.y**2),np.pi,0])
|
||||||
"""
|
|
||||||
angles = [0.0,0.0,0.0]
|
|
||||||
|
|
||||||
if type.lower() == 'bunge' or type.lower() == 'zxz':
|
|
||||||
if abs(self.x) < 1e-4 and abs(self.y) < 1e-4:
|
|
||||||
x = self.w**2 - self.z**2
|
|
||||||
y = 2.*self.w*self.z
|
|
||||||
angles[0] = math.atan2(y,x)
|
|
||||||
elif abs(self.w) < 1e-4 and abs(self.z) < 1e-4:
|
|
||||||
x = self.x**2 - self.y**2
|
|
||||||
y = 2.*self.x*self.y
|
|
||||||
angles[0] = math.atan2(y,x)
|
|
||||||
angles[1] = math.pi
|
|
||||||
else:
|
else:
|
||||||
chi = math.sqrt((self.w**2 + self.z**2)*(self.x**2 + self.y**2))
|
eulers = np.array([math.atan2((self.x*self.z-self.w*self.y)/chi,(-self.w*self.x-self.y*self.z)/chi),
|
||||||
|
math.atan2(2*chi,q03-q12),
|
||||||
|
math.atan2((self.w*self.y+self.x*self.z)/chi,( self.y*self.z-self.w*self.x)/chi),
|
||||||
|
])
|
||||||
|
|
||||||
x = (self.w * self.x - self.y * self.z)/2./chi
|
return np.degrees(eulers) if degrees else eulers
|
||||||
y = (self.w * self.y + self.x * self.z)/2./chi
|
|
||||||
angles[0] = math.atan2(y,x)
|
|
||||||
|
|
||||||
x = self.w**2 + self.z**2 - (self.x**2 + self.y**2)
|
|
||||||
y = 2.*chi
|
|
||||||
angles[1] = math.atan2(y,x)
|
|
||||||
|
|
||||||
x = (self.w * self.x + self.y * self.z)/2./chi
|
|
||||||
y = (self.z * self.x - self.y * self.w)/2./chi
|
|
||||||
angles[2] = math.atan2(y,x)
|
|
||||||
|
|
||||||
if standardRange:
|
|
||||||
angles[0] %= 2*math.pi
|
|
||||||
if angles[1] < 0.0:
|
|
||||||
angles[1] += math.pi
|
|
||||||
angles[2] *= -1.0
|
|
||||||
angles[2] %= 2*math.pi
|
|
||||||
|
|
||||||
return np.degrees(angles) if degrees else angles
|
|
||||||
|
|
||||||
|
|
||||||
# # Static constructors
|
# # Static constructors
|
||||||
|
@ -408,7 +388,7 @@ class Quaternion:
|
||||||
halfangle = math.atan(np.linalg.norm(rodrigues))
|
halfangle = math.atan(np.linalg.norm(rodrigues))
|
||||||
c = math.cos(halfangle)
|
c = math.cos(halfangle)
|
||||||
w = c
|
w = c
|
||||||
x,y,z = c*rodrigues
|
x,y,z = rodrigues/c
|
||||||
return cls([w,x,y,z])
|
return cls([w,x,y,z])
|
||||||
|
|
||||||
|
|
||||||
|
@ -431,24 +411,19 @@ class Quaternion:
|
||||||
@classmethod
|
@classmethod
|
||||||
def fromEulers(cls,
|
def fromEulers(cls,
|
||||||
eulers,
|
eulers,
|
||||||
type = 'Bunge',
|
|
||||||
degrees = False):
|
degrees = False):
|
||||||
if not isinstance(eulers, np.ndarray): eulers = np.array(eulers,dtype='d')
|
if not isinstance(eulers, np.ndarray): eulers = np.array(eulers,dtype='d')
|
||||||
eulers = np.radians(eulers) if degrees else eulers
|
eulers = np.radians(eulers) if degrees else eulers
|
||||||
|
|
||||||
c = np.cos(0.5 * eulers)
|
sigma = 0.5*(eulers[0]+eulers[2])
|
||||||
s = np.sin(0.5 * eulers)
|
delta = 0.5*(eulers[0]-eulers[2])
|
||||||
|
c = np.cos(0.5*eulers[1])
|
||||||
|
s = np.sin(0.5*eulers[1])
|
||||||
|
|
||||||
if type.lower() == 'bunge' or type.lower() == 'zxz':
|
w = c * np.cos(sigma)
|
||||||
w = c[0] * c[1] * c[2] - s[0] * c[1] * s[2]
|
x = -s * np.cos(delta)
|
||||||
x = c[0] * s[1] * c[2] + s[0] * s[1] * s[2]
|
y = -s * np.sin(delta)
|
||||||
y = - c[0] * s[1] * s[2] + s[0] * s[1] * c[2]
|
z = -c * np.sin(sigma)
|
||||||
z = c[0] * c[1] * s[2] + s[0] * c[1] * c[2]
|
|
||||||
else:
|
|
||||||
w = c[0] * c[1] * c[2] - s[0] * s[1] * s[2]
|
|
||||||
x = s[0] * s[1] * c[2] + c[0] * c[1] * s[2]
|
|
||||||
y = s[0] * c[1] * c[2] + c[0] * s[1] * s[2]
|
|
||||||
z = c[0] * s[1] * c[2] - s[0] * c[1] * s[2]
|
|
||||||
return cls([w,x,y,z])
|
return cls([w,x,y,z])
|
||||||
|
|
||||||
|
|
||||||
|
@ -460,49 +435,16 @@ class Quaternion:
|
||||||
if m.shape != (3,3) and np.prod(m.shape) == 9:
|
if m.shape != (3,3) and np.prod(m.shape) == 9:
|
||||||
m = m.reshape(3,3)
|
m = m.reshape(3,3)
|
||||||
|
|
||||||
tr = np.trace(m)
|
w = 0.5*math.sqrt(1.+m[0,0]+m[1,1]+m[2,2])
|
||||||
if tr > 1e-8:
|
x = 0.5*math.sqrt(1.+m[0,0]-m[1,1]-m[2,2])
|
||||||
s = math.sqrt(tr + 1.0)*2.0
|
y = 0.5*math.sqrt(1.-m[0,0]+m[1,1]-m[2,2])
|
||||||
|
z = 0.5*math.sqrt(1.-m[0,0]-m[1,1]+m[2,2])
|
||||||
|
|
||||||
return cls(
|
x *= -1 if m[2,1] < m[1,2] else 1
|
||||||
[ s*0.25,
|
y *= -1 if m[0,2] < m[2,0] else 1
|
||||||
(m[2,1] - m[1,2])/s,
|
z *= -1 if m[1,0] < m[0,1] else 1
|
||||||
(m[0,2] - m[2,0])/s,
|
|
||||||
(m[1,0] - m[0,1])/s,
|
|
||||||
])
|
|
||||||
|
|
||||||
elif m[0,0] > m[1,1] and m[0,0] > m[2,2]:
|
return cls( np.array([w,x,y,z])/math.sqrt(w**2 + x**2 + y**2 + z**2))
|
||||||
t = m[0,0] - m[1,1] - m[2,2] + 1.0
|
|
||||||
s = 2.0*math.sqrt(t)
|
|
||||||
|
|
||||||
return cls(
|
|
||||||
[ (m[2,1] - m[1,2])/s,
|
|
||||||
s*0.25,
|
|
||||||
(m[0,1] + m[1,0])/s,
|
|
||||||
(m[2,0] + m[0,2])/s,
|
|
||||||
])
|
|
||||||
|
|
||||||
elif m[1,1] > m[2,2]:
|
|
||||||
t = -m[0,0] + m[1,1] - m[2,2] + 1.0
|
|
||||||
s = 2.0*math.sqrt(t)
|
|
||||||
|
|
||||||
return cls(
|
|
||||||
[ (m[0,2] - m[2,0])/s,
|
|
||||||
(m[0,1] + m[1,0])/s,
|
|
||||||
s*0.25,
|
|
||||||
(m[1,2] + m[2,1])/s,
|
|
||||||
])
|
|
||||||
|
|
||||||
else:
|
|
||||||
t = -m[0,0] - m[1,1] + m[2,2] + 1.0
|
|
||||||
s = 2.0*math.sqrt(t)
|
|
||||||
|
|
||||||
return cls(
|
|
||||||
[ (m[1,0] - m[0,1])/s,
|
|
||||||
(m[2,0] + m[0,2])/s,
|
|
||||||
(m[1,2] + m[2,1])/s,
|
|
||||||
s*0.25,
|
|
||||||
])
|
|
||||||
|
|
||||||
|
|
||||||
@classmethod
|
@classmethod
|
||||||
|
@ -663,7 +605,7 @@ class Symmetry:
|
||||||
quaternion,
|
quaternion,
|
||||||
who = []):
|
who = []):
|
||||||
"""List of symmetrically equivalent quaternions based on own symmetry."""
|
"""List of symmetrically equivalent quaternions based on own symmetry."""
|
||||||
return [quaternion*q for q in self.symmetryQuats(who)]
|
return [q*quaternion for q in self.symmetryQuats(who)]
|
||||||
|
|
||||||
|
|
||||||
def inFZ(self,R):
|
def inFZ(self,R):
|
||||||
|
@ -829,7 +771,7 @@ class Orientation:
|
||||||
else:
|
else:
|
||||||
self.quaternion = Quaternion.fromRandom(randomSeed=random)
|
self.quaternion = Quaternion.fromRandom(randomSeed=random)
|
||||||
elif isinstance(Eulers, np.ndarray) and Eulers.shape == (3,): # based on given Euler angles
|
elif isinstance(Eulers, np.ndarray) and Eulers.shape == (3,): # based on given Euler angles
|
||||||
self.quaternion = Quaternion.fromEulers(Eulers,type='bunge',degrees=degrees)
|
self.quaternion = Quaternion.fromEulers(Eulers,degrees=degrees)
|
||||||
elif isinstance(matrix, np.ndarray) : # based on given rotation matrix
|
elif isinstance(matrix, np.ndarray) : # based on given rotation matrix
|
||||||
self.quaternion = Quaternion.fromMatrix(matrix)
|
self.quaternion = Quaternion.fromMatrix(matrix)
|
||||||
elif isinstance(angleAxis, np.ndarray) and angleAxis.shape == (4,): # based on given angle and rotation axis
|
elif isinstance(angleAxis, np.ndarray) and angleAxis.shape == (4,): # based on given angle and rotation axis
|
||||||
|
@ -855,16 +797,15 @@ class Orientation:
|
||||||
return 'Symmetry: %s\n' % (self.symmetry) + \
|
return 'Symmetry: %s\n' % (self.symmetry) + \
|
||||||
'Quaternion: %s\n' % (self.quaternion) + \
|
'Quaternion: %s\n' % (self.quaternion) + \
|
||||||
'Matrix:\n%s\n' % ( '\n'.join(['\t'.join(map(str,self.asMatrix()[i,:])) for i in range(3)]) ) + \
|
'Matrix:\n%s\n' % ( '\n'.join(['\t'.join(map(str,self.asMatrix()[i,:])) for i in range(3)]) ) + \
|
||||||
'Bunge Eulers / deg: %s' % ('\t'.join(map(str,self.asEulers('bunge',degrees=True))) )
|
'Bunge Eulers / deg: %s' % ('\t'.join(map(str,self.asEulers(degrees=True))) )
|
||||||
|
|
||||||
def asQuaternion(self):
|
def asQuaternion(self):
|
||||||
return self.quaternion.asList()
|
return self.quaternion.asList()
|
||||||
|
|
||||||
def asEulers(self,
|
def asEulers(self,
|
||||||
type = 'bunge',
|
|
||||||
degrees = False,
|
degrees = False,
|
||||||
standardRange = False):
|
):
|
||||||
return self.quaternion.asEulers(type, degrees, standardRange)
|
return self.quaternion.asEulers(degrees)
|
||||||
eulers = property(asEulers)
|
eulers = property(asEulers)
|
||||||
|
|
||||||
def asRodrigues(self):
|
def asRodrigues(self):
|
||||||
|
@ -912,13 +853,13 @@ class Orientation:
|
||||||
"""
|
"""
|
||||||
if self.symmetry != other.symmetry: raise TypeError('disorientation between different symmetry classes not supported yet.')
|
if self.symmetry != other.symmetry: raise TypeError('disorientation between different symmetry classes not supported yet.')
|
||||||
|
|
||||||
misQ = self.quaternion.conjugated()*other.quaternion
|
misQ = other.quaternion*self.quaternion.conjugated()
|
||||||
mySymQs = self.symmetry.symmetryQuats() if SST else self.symmetry.symmetryQuats()[:1] # take all or only first sym operation
|
mySymQs = self.symmetry.symmetryQuats() if SST else self.symmetry.symmetryQuats()[:1] # take all or only first sym operation
|
||||||
otherSymQs = other.symmetry.symmetryQuats()
|
otherSymQs = other.symmetry.symmetryQuats()
|
||||||
|
|
||||||
for i,sA in enumerate(mySymQs):
|
for i,sA in enumerate(mySymQs):
|
||||||
for j,sB in enumerate(otherSymQs):
|
for j,sB in enumerate(otherSymQs):
|
||||||
theQ = sA.conjugated()*misQ*sB
|
theQ = sB*misQ*sA.conjugated()
|
||||||
for k in range(2):
|
for k in range(2):
|
||||||
theQ.conjugate()
|
theQ.conjugate()
|
||||||
breaker = self.symmetry.inFZ(theQ) \
|
breaker = self.symmetry.inFZ(theQ) \
|
||||||
|
@ -939,10 +880,10 @@ class Orientation:
|
||||||
"""Axis rotated according to orientation (using crystal symmetry to ensure location falls into SST)"""
|
"""Axis rotated according to orientation (using crystal symmetry to ensure location falls into SST)"""
|
||||||
if SST: # pole requested to be within SST
|
if SST: # pole requested to be within SST
|
||||||
for i,q in enumerate(self.symmetry.equivalentQuaternions(self.quaternion)): # test all symmetric equivalent quaternions
|
for i,q in enumerate(self.symmetry.equivalentQuaternions(self.quaternion)): # test all symmetric equivalent quaternions
|
||||||
pole = q.conjugated()*axis # align crystal direction to axis
|
pole = q*axis # align crystal direction to axis
|
||||||
if self.symmetry.inSST(pole,proper): break # found SST version
|
if self.symmetry.inSST(pole,proper): break # found SST version
|
||||||
else:
|
else:
|
||||||
pole = self.quaternion.conjugated()*axis # align crystal direction to axis
|
pole = self.quaternion*axis # align crystal direction to axis
|
||||||
|
|
||||||
return (pole,i if SST else 0)
|
return (pole,i if SST else 0)
|
||||||
|
|
||||||
|
@ -951,7 +892,7 @@ class Orientation:
|
||||||
color = np.zeros(3,'d')
|
color = np.zeros(3,'d')
|
||||||
|
|
||||||
for q in self.symmetry.equivalentQuaternions(self.quaternion):
|
for q in self.symmetry.equivalentQuaternions(self.quaternion):
|
||||||
pole = q.conjugated()*axis # align crystal direction to axis
|
pole = q*axis # align crystal direction to axis
|
||||||
inSST,color = self.symmetry.inSST(pole,color=True)
|
inSST,color = self.symmetry.inSST(pole,color=True)
|
||||||
if inSST: break
|
if inSST: break
|
||||||
|
|
||||||
|
|
|
@ -1,4 +1,4 @@
|
||||||
#!/usr/bin/env python3
|
#!/usr/bin/env python2.7
|
||||||
# -*- coding: UTF-8 no BOM -*-
|
# -*- coding: UTF-8 no BOM -*-
|
||||||
|
|
||||||
import os,sys,math
|
import os,sys,math
|
||||||
|
|
|
@ -169,7 +169,7 @@ for name in filenames:
|
||||||
for output in options.output:
|
for output in options.output:
|
||||||
if output == 'quaternion': table.data_append(o.asQuaternion())
|
if output == 'quaternion': table.data_append(o.asQuaternion())
|
||||||
elif output == 'rodrigues': table.data_append(o.asRodrigues())
|
elif output == 'rodrigues': table.data_append(o.asRodrigues())
|
||||||
elif output == 'eulers': table.data_append(o.asEulers('Bunge', degrees=options.degrees))
|
elif output == 'eulers': table.data_append(o.asEulers(degrees=options.degrees))
|
||||||
outputAlive = table.data_write() # output processed line
|
outputAlive = table.data_write() # output processed line
|
||||||
|
|
||||||
# ------------------------------------------ output finalization -----------------------------------
|
# ------------------------------------------ output finalization -----------------------------------
|
||||||
|
|
|
@ -190,27 +190,27 @@ if np.sum(input) != 1: parser.error('needs exactly one input format.')
|
||||||
(options.quaternion,4,'quaternion'),
|
(options.quaternion,4,'quaternion'),
|
||||||
][np.where(input)[0][0]] # select input label that was requested
|
][np.where(input)[0][0]] # select input label that was requested
|
||||||
|
|
||||||
c_direction = np.zeros((len(slipSystems[options.lattice]),3),'f')
|
slip_direction = np.zeros((len(slipSystems[options.lattice]),3),'f')
|
||||||
c_normal = np.zeros_like(c_direction)
|
slip_normal = np.zeros_like(slip_direction)
|
||||||
|
|
||||||
|
|
||||||
if options.lattice in latticeChoices[:2]:
|
if options.lattice in latticeChoices[:2]:
|
||||||
c_direction = slipSystems[options.lattice][:,:3]
|
slip_direction = slipSystems[options.lattice][:,:3]
|
||||||
c_normal = slipSystems[options.lattice][:,3:]
|
slip_normal = slipSystems[options.lattice][:,3:]
|
||||||
elif options.lattice == latticeChoices[2]:
|
elif options.lattice == latticeChoices[2]:
|
||||||
# convert 4 Miller index notation of hex to orthogonal 3 Miller index notation
|
# convert 4 Miller index notation of hex to orthogonal 3 Miller index notation
|
||||||
for i in range(len(c_direction)):
|
for i in range(len(slip_direction)):
|
||||||
c_direction[i] = np.array([slipSystems['hex'][i,0]*1.5,
|
slip_direction[i] = np.array([slipSystems['hex'][i,0]*1.5,
|
||||||
(slipSystems['hex'][i,0] + 2.*slipSystems['hex'][i,1])*0.5*np.sqrt(3),
|
(slipSystems['hex'][i,0] + 2.*slipSystems['hex'][i,1])*0.5*np.sqrt(3),
|
||||||
slipSystems['hex'][i,3]*options.CoverA,
|
slipSystems['hex'][i,3]*options.CoverA,
|
||||||
])
|
])
|
||||||
c_normal[i] = np.array([slipSystems['hex'][i,4],
|
slip_normal[i] = np.array([slipSystems['hex'][i,4],
|
||||||
(slipSystems['hex'][i,4] + 2.*slipSystems['hex'][i,5])/np.sqrt(3),
|
(slipSystems['hex'][i,4] + 2.*slipSystems['hex'][i,5])/np.sqrt(3),
|
||||||
slipSystems['hex'][i,7]/options.CoverA,
|
slipSystems['hex'][i,7]/options.CoverA,
|
||||||
])
|
])
|
||||||
|
|
||||||
c_direction /= np.tile(np.linalg.norm(c_direction,axis=1),(3,1)).T
|
slip_direction /= np.tile(np.linalg.norm(slip_direction,axis=1),(3,1)).T
|
||||||
c_normal /= np.tile(np.linalg.norm(c_normal ,axis=1),(3,1)).T
|
slip_normal /= np.tile(np.linalg.norm(slip_normal ,axis=1),(3,1)).T
|
||||||
|
|
||||||
# --- loop over input files ------------------------------------------------------------------------
|
# --- loop over input files ------------------------------------------------------------------------
|
||||||
|
|
||||||
|
@ -244,7 +244,7 @@ for name in filenames:
|
||||||
.format( id = i+1,
|
.format( id = i+1,
|
||||||
normal = theNormal,
|
normal = theNormal,
|
||||||
direction = theDirection,
|
direction = theDirection,
|
||||||
) for i,(theNormal,theDirection) in enumerate(zip(c_normal,c_direction))])
|
) for i,(theNormal,theDirection) in enumerate(zip(slip_normal,slip_direction))])
|
||||||
table.head_write()
|
table.head_write()
|
||||||
|
|
||||||
# ------------------------------------------ process data ------------------------------------------
|
# ------------------------------------------ process data ------------------------------------------
|
||||||
|
@ -262,9 +262,9 @@ for name in filenames:
|
||||||
elif inputtype == 'quaternion':
|
elif inputtype == 'quaternion':
|
||||||
o = damask.Orientation(quaternion = np.array(list(map(float,table.data[column:column+4]))),)
|
o = damask.Orientation(quaternion = np.array(list(map(float,table.data[column:column+4]))),)
|
||||||
|
|
||||||
rotForce = o.quaternion.conjugated() * force
|
|
||||||
rotNormal = o.quaternion.conjugated() * normal
|
table.data_append( np.abs( np.sum(slip_direction * (o.quaternion * force) ,axis=1) \
|
||||||
table.data_append(np.abs(np.sum(c_direction*rotForce,axis=1) * np.sum(c_normal*rotNormal,axis=1)))
|
* np.sum(slip_normal * (o.quaternion * normal),axis=1)))
|
||||||
outputAlive = table.data_write() # output processed line
|
outputAlive = table.data_write() # output processed line
|
||||||
|
|
||||||
# ------------------------------------------ output finalization -----------------------------------
|
# ------------------------------------------ output finalization -----------------------------------
|
||||||
|
|
|
@ -127,7 +127,7 @@ options.fraction = np.array(options.fraction)
|
||||||
options.grid = np.array(options.grid)
|
options.grid = np.array(options.grid)
|
||||||
gridSize = options.grid.prod()
|
gridSize = options.grid.prod()
|
||||||
|
|
||||||
if options.randomSeed is None: options.randomSeed = int(os.urandom(4).encode('hex'), 16)
|
if options.randomSeed is None: options.randomSeed = int(os.urandom(4).hex(), 16)
|
||||||
np.random.seed(options.randomSeed) # init random generators
|
np.random.seed(options.randomSeed) # init random generators
|
||||||
random.seed(options.randomSeed)
|
random.seed(options.randomSeed)
|
||||||
|
|
||||||
|
|
220
src/IO.f90
220
src/IO.f90
|
@ -33,7 +33,6 @@ module IO
|
||||||
IO_write_jobIntFile, &
|
IO_write_jobIntFile, &
|
||||||
IO_read_realFile, &
|
IO_read_realFile, &
|
||||||
IO_read_intFile, &
|
IO_read_intFile, &
|
||||||
IO_hybridIA, &
|
|
||||||
IO_isBlank, &
|
IO_isBlank, &
|
||||||
IO_getTag, &
|
IO_getTag, &
|
||||||
IO_stringPos, &
|
IO_stringPos, &
|
||||||
|
@ -583,223 +582,6 @@ logical function IO_abaqus_hasNoPart(fileUnit)
|
||||||
620 end function IO_abaqus_hasNoPart
|
620 end function IO_abaqus_hasNoPart
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
!> @brief hybrid IA sampling of ODFfile
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
function IO_hybridIA(Nast,ODFfileName)
|
|
||||||
use prec, only: &
|
|
||||||
tol_math_check
|
|
||||||
|
|
||||||
implicit none
|
|
||||||
integer(pInt), intent(in) :: Nast !< number of samples?
|
|
||||||
real(pReal), dimension(3,Nast) :: IO_hybridIA
|
|
||||||
character(len=*), intent(in) :: ODFfileName !< name of ODF file including total path
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
! math module is not available
|
|
||||||
real(pReal), parameter :: PI = 3.141592653589793_pReal
|
|
||||||
real(pReal), parameter :: INRAD = PI/180.0_pReal
|
|
||||||
|
|
||||||
integer(pInt) :: i,j,bin,NnonZero,Nset,Nreps,reps,phi1,Phi,phi2
|
|
||||||
integer(pInt), allocatable, dimension(:) :: chunkPos
|
|
||||||
integer(pInt), dimension(3) :: steps !< number of steps in phi1, Phi, and phi2 direction
|
|
||||||
integer(pInt), dimension(4) :: columns !< columns in linearODF file where eulerangles and density are located
|
|
||||||
integer(pInt), dimension(:), allocatable :: binSet
|
|
||||||
real(pReal) :: center,sum_dV_V,prob,dg_0,C,lowerC,upperC,rnd
|
|
||||||
real(pReal), dimension(2,3) :: limits !< starting and end values for eulerangles
|
|
||||||
real(pReal), dimension(3) :: deltas, & !< angular step size in phi1, Phi, and phi2 direction
|
|
||||||
eulers !< euler angles when reading from file
|
|
||||||
real(pReal), dimension(:,:,:), allocatable :: dV_V
|
|
||||||
character(len=65536) :: line, keyword
|
|
||||||
integer(pInt) :: headerLength
|
|
||||||
integer(pInt), parameter :: FILEUNIT = 999_pInt
|
|
||||||
|
|
||||||
IO_hybridIA = 0.0_pReal ! initialize return value for case of error
|
|
||||||
write(6,'(/,a,/)',advance='no') ' Using linear ODF file: '//trim(ODFfileName)
|
|
||||||
write(6,'(/,a)') ' Eisenlohr et al., Computational Materials Science, 42(4):670–678, 2008'
|
|
||||||
write(6,'(a)') ' https://doi.org/10.1016/j.commatsci.2007.09.015'
|
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
! parse header of ODF file
|
|
||||||
call IO_open_file(FILEUNIT,ODFfileName)
|
|
||||||
headerLength = 0_pInt
|
|
||||||
line=IO_read(FILEUNIT)
|
|
||||||
chunkPos = IO_stringPos(line)
|
|
||||||
keyword = IO_lc(IO_StringValue(line,chunkPos,2_pInt,.true.))
|
|
||||||
if (keyword(1:4) == 'head') then
|
|
||||||
headerLength = IO_intValue(line,chunkPos,1_pInt) + 1_pInt
|
|
||||||
else
|
|
||||||
call IO_error(error_ID=156_pInt, ext_msg='no header found')
|
|
||||||
endif
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
! figure out columns containing data
|
|
||||||
do i = 1_pInt, headerLength-1_pInt
|
|
||||||
line=IO_read(FILEUNIT)
|
|
||||||
enddo
|
|
||||||
columns = 0_pInt
|
|
||||||
chunkPos = IO_stringPos(line)
|
|
||||||
do i = 1_pInt, chunkPos(1)
|
|
||||||
select case ( IO_lc(IO_StringValue(line,chunkPos,i,.true.)) )
|
|
||||||
case ('phi1')
|
|
||||||
columns(1) = i
|
|
||||||
case ('phi')
|
|
||||||
columns(2) = i
|
|
||||||
case ('phi2')
|
|
||||||
columns(3) = i
|
|
||||||
case ('intensity')
|
|
||||||
columns(4) = i
|
|
||||||
end select
|
|
||||||
enddo
|
|
||||||
|
|
||||||
if (any(columns<1)) call IO_error(error_ID = 156_pInt, ext_msg='could not find expected header')
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
! determine limits, number of steps and step size
|
|
||||||
limits(1,1:3) = 721.0_pReal
|
|
||||||
limits(2,1:3) = -1.0_pReal
|
|
||||||
steps = 0_pInt
|
|
||||||
|
|
||||||
line=IO_read(FILEUNIT)
|
|
||||||
do while (trim(line) /= IO_EOF)
|
|
||||||
chunkPos = IO_stringPos(line)
|
|
||||||
eulers=[IO_floatValue(line,chunkPos,columns(1)),&
|
|
||||||
IO_floatValue(line,chunkPos,columns(2)),&
|
|
||||||
IO_floatValue(line,chunkPos,columns(3))]
|
|
||||||
steps = steps + merge(1,0,eulers>limits(2,1:3))
|
|
||||||
limits(1,1:3) = min(limits(1,1:3),eulers)
|
|
||||||
limits(2,1:3) = max(limits(2,1:3),eulers)
|
|
||||||
line=IO_read(FILEUNIT)
|
|
||||||
enddo
|
|
||||||
|
|
||||||
deltas = (limits(2,1:3)-limits(1,1:3))/real(steps-1_pInt,pReal)
|
|
||||||
|
|
||||||
write(6,'(/,a,/,3(2x,f12.4,1x))',advance='no') ' Starting angles / ° = ',limits(1,1:3)
|
|
||||||
write(6,'(/,a,/,3(2x,f12.4,1x))',advance='no') ' Ending angles / ° = ',limits(2,1:3)
|
|
||||||
write(6,'(/,a,/,3(2x,f12.4,1x))',advance='no') ' Angular steps / ° = ',deltas
|
|
||||||
|
|
||||||
if (all(abs(limits(1,1:3)) < tol_math_check)) then
|
|
||||||
write(6,'(/,a,/)',advance='no') ' assuming vertex centered data'
|
|
||||||
center = 0.0_pReal ! no need to shift
|
|
||||||
if (any(mod(int(limits(2,1:3),pInt),90)==0)) &
|
|
||||||
call IO_error(error_ID = 156_pInt, ext_msg='linear ODF data repeated at right boundary')
|
|
||||||
else
|
|
||||||
write(6,'(/,a,/)',advance='no') ' assuming cell centered data'
|
|
||||||
center = 0.5_pReal ! shift data by half of a bin
|
|
||||||
endif
|
|
||||||
|
|
||||||
limits = limits*INRAD
|
|
||||||
deltas = deltas*INRAD
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
! read in data
|
|
||||||
allocate(dV_V(steps(3),steps(2),steps(1)),source=0.0_pReal)
|
|
||||||
sum_dV_V = 0.0_pReal
|
|
||||||
dg_0 = deltas(1)*deltas(3)*2.0_pReal*sin(deltas(2)/2.0_pReal)
|
|
||||||
NnonZero = 0_pInt
|
|
||||||
|
|
||||||
call IO_checkAndRewind(FILEUNIT) ! forward
|
|
||||||
do i = 1_pInt, headerLength
|
|
||||||
line=IO_read(FILEUNIT)
|
|
||||||
enddo
|
|
||||||
|
|
||||||
do phi1=1_pInt,steps(1); do Phi=1_pInt,steps(2); do phi2=1_pInt,steps(3)
|
|
||||||
line=IO_read(FILEUNIT)
|
|
||||||
chunkPos = IO_stringPos(line)
|
|
||||||
eulers=[IO_floatValue(line,chunkPos,columns(1)),& ! read in again for consistency check only
|
|
||||||
IO_floatValue(line,chunkPos,columns(2)),&
|
|
||||||
IO_floatValue(line,chunkPos,columns(3))]*INRAD
|
|
||||||
if (any(abs((real([phi1,phi,phi2],pReal) -1.0_pReal + center)*deltas-eulers)>tol_math_check)) & ! check if data is in expected order (phi2 fast) and correct for Fortran starting at 1
|
|
||||||
call IO_error(error_ID = 156_pInt, ext_msg='linear ODF data not in expected order')
|
|
||||||
|
|
||||||
prob = IO_floatValue(line,chunkPos,columns(4))
|
|
||||||
if (prob > 0.0_pReal) then
|
|
||||||
NnonZero = NnonZero+1_pInt
|
|
||||||
sum_dV_V = sum_dV_V+prob
|
|
||||||
else
|
|
||||||
prob = 0.0_pReal
|
|
||||||
endif
|
|
||||||
dV_V(phi2,Phi,phi1) = prob*dg_0*sin((real(Phi-1_pInt,pReal)+center)*deltas(2))
|
|
||||||
enddo; enddo; enddo
|
|
||||||
close(FILEUNIT)
|
|
||||||
dV_V = dV_V/sum_dV_V ! normalize to 1
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
! now fix bounds
|
|
||||||
Nset = max(Nast,NnonZero) ! if less than non-zero voxel count requested, sample at least that much
|
|
||||||
lowerC = 0.0_pReal
|
|
||||||
upperC = real(Nset, pReal)
|
|
||||||
|
|
||||||
do while (hybridIA_reps(dV_V,steps,upperC) < Nset)
|
|
||||||
lowerC = upperC
|
|
||||||
upperC = upperC*2.0_pReal
|
|
||||||
enddo
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
! binary search for best C
|
|
||||||
do
|
|
||||||
C = (upperC+lowerC)/2.0_pReal
|
|
||||||
Nreps = hybridIA_reps(dV_V,steps,C)
|
|
||||||
if (abs(upperC-lowerC) < upperC*1.0e-14_pReal) then
|
|
||||||
C = upperC
|
|
||||||
Nreps = hybridIA_reps(dV_V,steps,C)
|
|
||||||
exit
|
|
||||||
elseif (Nreps < Nset) then
|
|
||||||
lowerC = C
|
|
||||||
elseif (Nreps > Nset) then
|
|
||||||
upperC = C
|
|
||||||
else
|
|
||||||
exit
|
|
||||||
endif
|
|
||||||
enddo
|
|
||||||
|
|
||||||
allocate(binSet(Nreps))
|
|
||||||
bin = 0_pInt ! bin counter
|
|
||||||
i = 1_pInt ! set counter
|
|
||||||
do phi1=1_pInt,steps(1); do Phi=1_pInt,steps(2) ;do phi2=1_pInt,steps(3)
|
|
||||||
reps = nint(C*dV_V(phi2,Phi,phi1), pInt)
|
|
||||||
binSet(i:i+reps-1) = bin
|
|
||||||
bin = bin+1_pInt ! advance bin
|
|
||||||
i = i+reps ! advance set
|
|
||||||
enddo; enddo; enddo
|
|
||||||
|
|
||||||
do i=1_pInt,Nast
|
|
||||||
if (i < Nast) then
|
|
||||||
call random_number(rnd)
|
|
||||||
j = nint(rnd*real(Nreps-i,pReal)+real(i,pReal)+0.5_pReal,pInt)
|
|
||||||
else
|
|
||||||
j = i
|
|
||||||
endif
|
|
||||||
bin = binSet(j)
|
|
||||||
IO_hybridIA(1,i) = deltas(1)*(real(mod(bin/(steps(3)*steps(2)),steps(1)),pReal)+center) ! phi1
|
|
||||||
IO_hybridIA(2,i) = deltas(2)*(real(mod(bin/ steps(3) ,steps(2)),pReal)+center) ! Phi
|
|
||||||
IO_hybridIA(3,i) = deltas(3)*(real(mod(bin ,steps(3)),pReal)+center) ! phi2
|
|
||||||
binSet(j) = binSet(i)
|
|
||||||
enddo
|
|
||||||
|
|
||||||
contains
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
!> @brief counts hybrid IA repetitions
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
integer(pInt) pure function hybridIA_reps(dV_V,steps,C)
|
|
||||||
|
|
||||||
implicit none
|
|
||||||
integer(pInt), intent(in), dimension(3) :: steps !< number of bins in Euler space
|
|
||||||
real(pReal), intent(in), dimension(steps(3),steps(2),steps(1)) :: dV_V !< needs description
|
|
||||||
real(pReal), intent(in) :: C !< needs description
|
|
||||||
|
|
||||||
integer(pInt) :: phi1,Phi,phi2
|
|
||||||
|
|
||||||
hybridIA_reps = 0_pInt
|
|
||||||
do phi1=1_pInt,steps(1); do Phi =1_pInt,steps(2); do phi2=1_pInt,steps(3)
|
|
||||||
hybridIA_reps = hybridIA_reps+nint(C*dV_V(phi2,Phi,phi1), pInt)
|
|
||||||
enddo; enddo; enddo
|
|
||||||
|
|
||||||
end function hybridIA_reps
|
|
||||||
|
|
||||||
end function IO_hybridIA
|
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief identifies strings without content
|
!> @brief identifies strings without content
|
||||||
|
@ -1758,7 +1540,6 @@ integer(pInt) function IO_verifyIntValue (string,validChars,myName)
|
||||||
validChars, & !< valid characters in string
|
validChars, & !< valid characters in string
|
||||||
myName !< name of caller function (for debugging)
|
myName !< name of caller function (for debugging)
|
||||||
integer(pInt) :: readStatus, invalidWhere
|
integer(pInt) :: readStatus, invalidWhere
|
||||||
!character(len=len(trim(string))) :: trimmed does not work with ifort 14.0.1
|
|
||||||
|
|
||||||
IO_verifyIntValue = 0_pInt
|
IO_verifyIntValue = 0_pInt
|
||||||
|
|
||||||
|
@ -1788,7 +1569,6 @@ real(pReal) function IO_verifyFloatValue (string,validChars,myName)
|
||||||
myName !< name of caller function (for debugging)
|
myName !< name of caller function (for debugging)
|
||||||
|
|
||||||
integer(pInt) :: readStatus, invalidWhere
|
integer(pInt) :: readStatus, invalidWhere
|
||||||
!character(len=len(trim(string))) :: trimmed does not work with ifort 14.0.1
|
|
||||||
|
|
||||||
IO_verifyFloatValue = 0.0_pReal
|
IO_verifyFloatValue = 0.0_pReal
|
||||||
|
|
||||||
|
|
129
src/material.f90
129
src/material.f90
|
@ -169,18 +169,13 @@ module material
|
||||||
homogenization_maxNgrains !< max number of grains in any USED homogenization
|
homogenization_maxNgrains !< max number of grains in any USED homogenization
|
||||||
|
|
||||||
integer(pInt), dimension(:), allocatable, public, protected :: &
|
integer(pInt), dimension(:), allocatable, public, protected :: &
|
||||||
material_homogenizationAt, & !< homogenization ID of each element (copy of mesh_homogenizationAt)
|
|
||||||
phase_Nsources, & !< number of source mechanisms active in each phase
|
phase_Nsources, & !< number of source mechanisms active in each phase
|
||||||
phase_Nkinematics, & !< number of kinematic mechanisms active in each phase
|
phase_Nkinematics, & !< number of kinematic mechanisms active in each phase
|
||||||
phase_NstiffnessDegradations, & !< number of stiffness degradation mechanisms active in each phase
|
phase_NstiffnessDegradations, & !< number of stiffness degradation mechanisms active in each phase
|
||||||
phase_Noutput, & !< number of '(output)' items per phase
|
phase_Noutput, & !< number of '(output)' items per phase
|
||||||
phase_elasticityInstance, & !< instance of particular elasticity of each phase
|
phase_elasticityInstance, & !< instance of particular elasticity of each phase
|
||||||
phase_plasticityInstance !< instance of particular plasticity of each phase
|
phase_plasticityInstance, & !< instance of particular plasticity of each phase
|
||||||
|
crystallite_Noutput, & !< number of '(output)' items per crystallite setting
|
||||||
integer(pInt), dimension(:), allocatable, public, protected :: &
|
|
||||||
crystallite_Noutput !< number of '(output)' items per crystallite setting
|
|
||||||
|
|
||||||
integer(pInt), dimension(:), allocatable, public, protected :: &
|
|
||||||
homogenization_Ngrains, & !< number of grains in each homogenization
|
homogenization_Ngrains, & !< number of grains in each homogenization
|
||||||
homogenization_Noutput, & !< number of '(output)' items per homogenization
|
homogenization_Noutput, & !< number of '(output)' items per homogenization
|
||||||
homogenization_typeInstance, & !< instance of particular type of each homogenization
|
homogenization_typeInstance, & !< instance of particular type of each homogenization
|
||||||
|
@ -189,7 +184,7 @@ module material
|
||||||
vacancyflux_typeInstance, & !< instance of particular type of each vacancy flux
|
vacancyflux_typeInstance, & !< instance of particular type of each vacancy flux
|
||||||
porosity_typeInstance, & !< instance of particular type of each porosity model
|
porosity_typeInstance, & !< instance of particular type of each porosity model
|
||||||
hydrogenflux_typeInstance, & !< instance of particular type of each hydrogen flux
|
hydrogenflux_typeInstance, & !< instance of particular type of each hydrogen flux
|
||||||
microstructure_crystallite !< crystallite setting ID of each microstructure
|
microstructure_crystallite !< crystallite setting ID of each microstructure ! DEPRECATED !!!!
|
||||||
|
|
||||||
real(pReal), dimension(:), allocatable, public, protected :: &
|
real(pReal), dimension(:), allocatable, public, protected :: &
|
||||||
thermal_initialT, & !< initial temperature per each homogenization
|
thermal_initialT, & !< initial temperature per each homogenization
|
||||||
|
@ -198,12 +193,27 @@ module material
|
||||||
porosity_initialPhi, & !< initial posority per each homogenization
|
porosity_initialPhi, & !< initial posority per each homogenization
|
||||||
hydrogenflux_initialCh !< initial hydrogen concentration per each homogenization
|
hydrogenflux_initialCh !< initial hydrogen concentration per each homogenization
|
||||||
|
|
||||||
|
! NEW MAPPINGS
|
||||||
|
integer(pInt), dimension(:), allocatable, public, protected :: &
|
||||||
|
material_homogenizationAt, & !< homogenization ID of each element (copy of mesh_homogenizationAt)
|
||||||
|
material_homogenizationMemberAt, & !< position of the element within its homogenization instance
|
||||||
|
material_aggregateAt, & !< aggregate ID of each element FUTURE USE FOR OUTPUT
|
||||||
|
material_aggregatMemberAt !< position of the element within its aggregate instance FUTURE USE FOR OUTPUT
|
||||||
|
integer(pInt), dimension(:,:), allocatable, public, protected :: &
|
||||||
|
material_phaseAt, & !< phase ID of each element
|
||||||
|
material_phaseMemberAt, & !< position of the element within its phase instance
|
||||||
|
material_crystalliteAt, & !< crystallite ID of each element CURRENTLY NOT PER CONSTITUTENT
|
||||||
|
material_crystalliteMemberAt !< position of the element within its crystallite instance CURRENTLY NOT PER CONSTITUTENT
|
||||||
|
! END NEW MAPPINGS
|
||||||
|
|
||||||
|
! DEPRECATED: use material_phaseAt
|
||||||
integer(pInt), dimension(:,:,:), allocatable, public :: &
|
integer(pInt), dimension(:,:,:), allocatable, public :: &
|
||||||
material_phase !< phase (index) of each grain,IP,element
|
material_phase !< phase (index) of each grain,IP,element
|
||||||
! BEGIN DEPRECATED: use material_homogenizationAt
|
! DEPRECATED: use material_homogenizationAt
|
||||||
integer(pInt), dimension(:,:), allocatable, public :: &
|
integer(pInt), dimension(:,:), allocatable, public :: &
|
||||||
material_homog !< homogenization (index) of each IP,element
|
material_homog !< homogenization (index) of each IP,element
|
||||||
! END DEPRECATED
|
! END DEPRECATED
|
||||||
|
|
||||||
type(tPlasticState), allocatable, dimension(:), public :: &
|
type(tPlasticState), allocatable, dimension(:), public :: &
|
||||||
plasticState
|
plasticState
|
||||||
type(tSourceState), allocatable, dimension(:), public :: &
|
type(tSourceState), allocatable, dimension(:), public :: &
|
||||||
|
@ -227,10 +237,6 @@ module material
|
||||||
microstructure_elemhomo, & !< flag to indicate homogeneous microstructure distribution over element's IPs
|
microstructure_elemhomo, & !< flag to indicate homogeneous microstructure distribution over element's IPs
|
||||||
phase_localPlasticity !< flags phases with local constitutive law
|
phase_localPlasticity !< flags phases with local constitutive law
|
||||||
|
|
||||||
|
|
||||||
character(len=65536), dimension(:), allocatable, private :: &
|
|
||||||
texture_ODFfile !< name of each ODF file
|
|
||||||
|
|
||||||
integer(pInt), private :: &
|
integer(pInt), private :: &
|
||||||
microstructure_maxNconstituents, & !< max number of constituents in any phase
|
microstructure_maxNconstituents, & !< max number of constituents in any phase
|
||||||
texture_maxNgauss, & !< max number of Gauss components in any texture
|
texture_maxNgauss, & !< max number of Gauss components in any texture
|
||||||
|
@ -258,11 +264,13 @@ module material
|
||||||
logical, dimension(:), allocatable, private :: &
|
logical, dimension(:), allocatable, private :: &
|
||||||
homogenization_active
|
homogenization_active
|
||||||
|
|
||||||
|
! BEGIN DEPRECATED
|
||||||
integer(pInt), dimension(:,:,:), allocatable, public :: phaseAt !< phase ID of every material point (ipc,ip,el)
|
integer(pInt), dimension(:,:,:), allocatable, public :: phaseAt !< phase ID of every material point (ipc,ip,el)
|
||||||
integer(pInt), dimension(:,:,:), allocatable, public :: phasememberAt !< memberID of given phase at every material point (ipc,ip,el)
|
integer(pInt), dimension(:,:,:), allocatable, public :: phasememberAt !< memberID of given phase at every material point (ipc,ip,el)
|
||||||
integer(pInt), dimension(:,:,:), allocatable, public, target :: mappingCrystallite
|
|
||||||
integer(pInt), dimension(:,:,:), allocatable, public, target :: mappingHomogenization !< mapping from material points to offset in heterogenous state/field
|
integer(pInt), dimension(:,:,:), allocatable, public, target :: mappingHomogenization !< mapping from material points to offset in heterogenous state/field
|
||||||
integer(pInt), dimension(:,:), allocatable, public, target :: mappingHomogenizationConst !< mapping from material points to offset in constant state/field
|
integer(pInt), dimension(:,:), allocatable, private, target :: mappingHomogenizationConst !< mapping from material points to offset in constant state/field
|
||||||
|
! END DEPRECATED
|
||||||
|
|
||||||
type(tHomogMapping), allocatable, dimension(:), public :: &
|
type(tHomogMapping), allocatable, dimension(:), public :: &
|
||||||
thermalMapping, & !< mapping for thermal state/fields
|
thermalMapping, & !< mapping for thermal state/fields
|
||||||
|
@ -368,7 +376,6 @@ subroutine material_init()
|
||||||
use mesh, only: &
|
use mesh, only: &
|
||||||
mesh_homogenizationAt, &
|
mesh_homogenizationAt, &
|
||||||
mesh_NipsPerElem, &
|
mesh_NipsPerElem, &
|
||||||
mesh_maxNips, &
|
|
||||||
mesh_NcpElems, &
|
mesh_NcpElems, &
|
||||||
FE_geomtype
|
FE_geomtype
|
||||||
|
|
||||||
|
@ -378,11 +385,10 @@ subroutine material_init()
|
||||||
integer(pInt) :: &
|
integer(pInt) :: &
|
||||||
g, & !< grain number
|
g, & !< grain number
|
||||||
i, & !< integration point number
|
i, & !< integration point number
|
||||||
e, & !< element number
|
e !< element number
|
||||||
phase
|
integer(pInt), dimension(:), allocatable :: &
|
||||||
integer(pInt), dimension(:), allocatable :: ConstitutivePosition
|
CounterPhase, &
|
||||||
integer(pInt), dimension(:), allocatable :: CrystallitePosition
|
CounterHomogenization
|
||||||
integer(pInt), dimension(:), allocatable :: HomogenizationPosition
|
|
||||||
|
|
||||||
myDebug = debug_level(debug_material)
|
myDebug = debug_level(debug_material)
|
||||||
|
|
||||||
|
@ -473,30 +479,34 @@ subroutine material_init()
|
||||||
|
|
||||||
call material_populateGrains
|
call material_populateGrains
|
||||||
|
|
||||||
allocate(phaseAt ( homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems),source=0_pInt)
|
! BEGIN DEPRECATED
|
||||||
allocate(phasememberAt ( homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems),source=0_pInt)
|
allocate(phaseAt ( homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems),source=0_pInt)
|
||||||
allocate(mappingHomogenization (2, mesh_maxNips,mesh_NcpElems),source=0_pInt)
|
allocate(phasememberAt ( homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems),source=0_pInt)
|
||||||
allocate(mappingCrystallite (2,homogenization_maxNgrains, mesh_NcpElems),source=0_pInt)
|
allocate(mappingHomogenization (2, mesh_nIPsPerElem,mesh_NcpElems),source=0_pInt)
|
||||||
allocate(mappingHomogenizationConst( mesh_maxNips,mesh_NcpElems),source=1_pInt)
|
allocate(mappingHomogenizationConst( mesh_nIPsPerElem,mesh_NcpElems),source=1_pInt)
|
||||||
|
! END DEPRECATED
|
||||||
|
|
||||||
allocate(ConstitutivePosition (size(config_phase)), source=0_pInt)
|
allocate(material_homogenizationAt,source=mesh_homogenizationAt)
|
||||||
allocate(HomogenizationPosition(size(config_homogenization)),source=0_pInt)
|
allocate(CounterPhase (size(config_phase)), source=0_pInt)
|
||||||
allocate(CrystallitePosition (size(config_phase)), source=0_pInt)
|
allocate(CounterHomogenization(size(config_homogenization)),source=0_pInt)
|
||||||
|
|
||||||
ElemLoop:do e = 1_pInt,mesh_NcpElems
|
! BEGIN DEPRECATED
|
||||||
|
do e = 1_pInt,mesh_NcpElems
|
||||||
myHomog = mesh_homogenizationAt(e)
|
myHomog = mesh_homogenizationAt(e)
|
||||||
IPloop:do i = 1_pInt, mesh_NipsPerElem
|
do i = 1_pInt, mesh_NipsPerElem
|
||||||
HomogenizationPosition(myHomog) = HomogenizationPosition(myHomog) + 1_pInt
|
CounterHomogenization(myHomog) = CounterHomogenization(myHomog) + 1_pInt
|
||||||
mappingHomogenization(1:2,i,e) = [HomogenizationPosition(myHomog),myHomog]
|
mappingHomogenization(1:2,i,e) = [CounterHomogenization(myHomog),myHomog]
|
||||||
GrainLoop:do g = 1_pInt,homogenization_Ngrains(myHomog)
|
do g = 1_pInt,homogenization_Ngrains(myHomog)
|
||||||
phase = material_phase(g,i,e)
|
myPhase = material_phase(g,i,e)
|
||||||
ConstitutivePosition(phase) = ConstitutivePosition(phase)+1_pInt ! not distinguishing between instances of same phase
|
CounterPhase(myPhase) = CounterPhase(myPhase)+1_pInt ! not distinguishing between instances of same phase
|
||||||
phaseAt(g,i,e) = phase
|
phaseAt(g,i,e) = myPhase
|
||||||
phasememberAt(g,i,e) = ConstitutivePosition(phase)
|
phasememberAt(g,i,e) = CounterPhase(myPhase)
|
||||||
enddo GrainLoop
|
enddo
|
||||||
enddo IPloop
|
enddo
|
||||||
enddo ElemLoop
|
enddo
|
||||||
|
! END DEPRECATED
|
||||||
|
|
||||||
|
! REMOVE !!!!!
|
||||||
! hack needed to initialize field values used during constitutive and crystallite initializations
|
! hack needed to initialize field values used during constitutive and crystallite initializations
|
||||||
do myHomog = 1,size(config_homogenization)
|
do myHomog = 1,size(config_homogenization)
|
||||||
thermalMapping (myHomog)%p => mappingHomogenizationConst
|
thermalMapping (myHomog)%p => mappingHomogenizationConst
|
||||||
|
@ -937,9 +947,7 @@ subroutine material_parseTexture
|
||||||
integer(pInt) :: section, gauss, fiber, j, t, i
|
integer(pInt) :: section, gauss, fiber, j, t, i
|
||||||
character(len=65536), dimension(:), allocatable :: strings ! Values for given key in material config
|
character(len=65536), dimension(:), allocatable :: strings ! Values for given key in material config
|
||||||
integer(pInt), dimension(:), allocatable :: chunkPos
|
integer(pInt), dimension(:), allocatable :: chunkPos
|
||||||
character(len=65536) :: tag
|
|
||||||
|
|
||||||
allocate(texture_ODFfile(size(config_texture))); texture_ODFfile=''
|
|
||||||
allocate(texture_symmetry(size(config_texture)), source=1_pInt)
|
allocate(texture_symmetry(size(config_texture)), source=1_pInt)
|
||||||
allocate(texture_Ngauss(size(config_texture)), source=0_pInt)
|
allocate(texture_Ngauss(size(config_texture)), source=0_pInt)
|
||||||
allocate(texture_Nfiber(size(config_texture)), source=0_pInt)
|
allocate(texture_Nfiber(size(config_texture)), source=0_pInt)
|
||||||
|
@ -985,9 +993,6 @@ subroutine material_parseTexture
|
||||||
if(dNeq(math_det33(texture_transformation(1:3,1:3,t)),1.0_pReal)) call IO_error(157_pInt,t)
|
if(dNeq(math_det33(texture_transformation(1:3,1:3,t)),1.0_pReal)) call IO_error(157_pInt,t)
|
||||||
endif
|
endif
|
||||||
|
|
||||||
tag=''
|
|
||||||
texture_ODFfile(t) = config_texture(t)%getString('hybridia',defaultVal=tag)
|
|
||||||
|
|
||||||
if (config_texture(t)%keyExists('symmetry')) then
|
if (config_texture(t)%keyExists('symmetry')) then
|
||||||
select case (config_texture(t)%getString('symmetry'))
|
select case (config_texture(t)%getString('symmetry'))
|
||||||
case('orthotropic')
|
case('orthotropic')
|
||||||
|
@ -1122,7 +1127,7 @@ end subroutine material_allocatePlasticState
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief populates the grains
|
!> @brief populates the grains
|
||||||
!> @details populates the grains by identifying active microstructure/homogenization pairs,
|
!> @details populates the grains by identifying active microstructure/homogenization pairs,
|
||||||
!! calculates the volume of the grains and deals with texture components and hybridIA
|
!! calculates the volume of the grains and deals with texture components
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine material_populateGrains
|
subroutine material_populateGrains
|
||||||
use prec, only: &
|
use prec, only: &
|
||||||
|
@ -1141,7 +1146,6 @@ subroutine material_populateGrains
|
||||||
mesh_elemType, &
|
mesh_elemType, &
|
||||||
mesh_homogenizationAt, &
|
mesh_homogenizationAt, &
|
||||||
mesh_microstructureAt, &
|
mesh_microstructureAt, &
|
||||||
mesh_maxNips, &
|
|
||||||
mesh_NcpElems, &
|
mesh_NcpElems, &
|
||||||
mesh_ipVolume, &
|
mesh_ipVolume, &
|
||||||
FE_geomtype
|
FE_geomtype
|
||||||
|
@ -1152,8 +1156,7 @@ subroutine material_populateGrains
|
||||||
homogenization_name, &
|
homogenization_name, &
|
||||||
microstructure_name
|
microstructure_name
|
||||||
use IO, only: &
|
use IO, only: &
|
||||||
IO_error, &
|
IO_error
|
||||||
IO_hybridIA
|
|
||||||
use debug, only: &
|
use debug, only: &
|
||||||
debug_level, &
|
debug_level, &
|
||||||
debug_material, &
|
debug_material, &
|
||||||
|
@ -1181,12 +1184,11 @@ subroutine material_populateGrains
|
||||||
|
|
||||||
myDebug = debug_level(debug_material)
|
myDebug = debug_level(debug_material)
|
||||||
|
|
||||||
allocate(material_volume(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), source=0.0_pReal)
|
allocate(material_volume(homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems), source=0.0_pReal)
|
||||||
allocate(material_phase(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), source=0_pInt)
|
allocate(material_phase(homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems), source=0_pInt)
|
||||||
allocate(material_homog(mesh_maxNips,mesh_NcpElems), source=0_pInt)
|
allocate(material_homog(mesh_nIPsPerElem,mesh_NcpElems), source=0_pInt)
|
||||||
allocate(material_homogenizationAt,source=mesh_homogenizationAt)
|
allocate(material_texture(homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems), source=0_pInt)
|
||||||
allocate(material_texture(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), source=0_pInt)
|
allocate(material_EulerAngles(3,homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems),source=0.0_pReal)
|
||||||
allocate(material_EulerAngles(3,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems),source=0.0_pReal)
|
|
||||||
|
|
||||||
allocate(Ngrains(size(config_homogenization),size(config_microstructure)), source=0_pInt)
|
allocate(Ngrains(size(config_homogenization),size(config_microstructure)), source=0_pInt)
|
||||||
allocate(Nelems (size(config_homogenization),size(config_microstructure)), source=0_pInt)
|
allocate(Nelems (size(config_homogenization),size(config_microstructure)), source=0_pInt)
|
||||||
|
@ -1330,8 +1332,7 @@ subroutine material_populateGrains
|
||||||
real(texture_symmetry(textureID),pReal),pInt) ! max number of unique orientations (excl. symmetry)
|
real(texture_symmetry(textureID),pReal),pInt) ! max number of unique orientations (excl. symmetry)
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! ...has texture components
|
! has texture components
|
||||||
if (texture_ODFfile(textureID) == '') then
|
|
||||||
gauss: do t = 1_pInt,texture_Ngauss(textureID) ! loop over Gauss components
|
gauss: do t = 1_pInt,texture_Ngauss(textureID) ! loop over Gauss components
|
||||||
do g = 1_pInt,int(real(myNorientations,pReal)*texture_Gauss(5,t,textureID),pInt) ! loop over required grain count
|
do g = 1_pInt,int(real(myNorientations,pReal)*texture_Gauss(5,t,textureID),pInt) ! loop over required grain count
|
||||||
orientationOfGrain(:,grain+constituentGrain+g) = &
|
orientationOfGrain(:,grain+constituentGrain+g) = &
|
||||||
|
@ -1356,13 +1357,6 @@ subroutine material_populateGrains
|
||||||
random: do constituentGrain = constituentGrain+1_pInt,myNorientations ! fill remainder with random
|
random: do constituentGrain = constituentGrain+1_pInt,myNorientations ! fill remainder with random
|
||||||
orientationOfGrain(:,grain+constituentGrain) = math_sampleRandomOri()
|
orientationOfGrain(:,grain+constituentGrain) = math_sampleRandomOri()
|
||||||
enddo random
|
enddo random
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
! ...has hybrid IA
|
|
||||||
else
|
|
||||||
orientationOfGrain(1:3,grain+1_pInt:grain+myNorientations) = &
|
|
||||||
IO_hybridIA(myNorientations,texture_ODFfile(textureID))
|
|
||||||
if (all(dEq(orientationOfGrain(1:3,grain+1_pInt),-1.0_pReal))) call IO_error(156_pInt)
|
|
||||||
endif
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! ...texture transformation
|
! ...texture transformation
|
||||||
|
@ -1479,12 +1473,7 @@ subroutine material_populateGrains
|
||||||
enddo microstructureLoop
|
enddo microstructureLoop
|
||||||
enddo homogenizationLoop
|
enddo homogenizationLoop
|
||||||
|
|
||||||
deallocate(volumeOfGrain)
|
|
||||||
deallocate(phaseOfGrain)
|
|
||||||
deallocate(textureOfGrain)
|
|
||||||
deallocate(orientationOfGrain)
|
|
||||||
deallocate(texture_transformation)
|
deallocate(texture_transformation)
|
||||||
deallocate(Nelems)
|
|
||||||
deallocate(elemsOfHomogMicro)
|
deallocate(elemsOfHomogMicro)
|
||||||
call config_deallocate('material.config/microstructure')
|
call config_deallocate('material.config/microstructure')
|
||||||
|
|
||||||
|
|
Loading…
Reference in New Issue