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DAMASK_EICMD
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more sensible interface

This commit is contained in:
Martin Diehl 2019-12-08 18:54:41 +01:00
parent 7dc128ad12
commit 4e2e7d02f6
1 changed files with 5 additions and 6 deletions
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11
python/damask/grid_filters.py
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@ -1,9 +1,8 @@
from scipy import spatial from scipy import spatial
import numpy as np import numpy as np
def __ks(size,field,first_order=False): def __ks(size,grid,first_order=False):
"""Get wave numbers operator.""" """Get wave numbers operator."""
grid = np.array(np.shape(field)[:3])
k_sk = np.where(np.arange(grid[0])>grid[0]//2,np.arange(grid[0])-grid[0],np.arange(grid[0]))/size[0] k_sk = np.where(np.arange(grid[0])>grid[0]//2,np.arange(grid[0])-grid[0],np.arange(grid[0]))/size[0]
if grid[0]%2 == 0 and first_order: k_sk[grid[0]//2] = 0 # Nyquist freq=0 for even grid (Johnson, MIT, 2011) if grid[0]%2 == 0 and first_order: k_sk[grid[0]//2] = 0 # Nyquist freq=0 for even grid (Johnson, MIT, 2011)
@ -20,7 +19,7 @@ def __ks(size,field,first_order=False):
def curl(size,field): def curl(size,field):
"""Calculate curl of a vector or tensor field in Fourier space.""" """Calculate curl of a vector or tensor field in Fourier space."""
n = np.prod(field.shape[3:]) n = np.prod(field.shape[3:])
k_s = __ks(size,field,True) k_s = __ks(size,field.shape[:3],True)
e = np.zeros((3, 3, 3)) e = np.zeros((3, 3, 3))
e[0, 1, 2] = e[1, 2, 0] = e[2, 0, 1] = +1.0 # Levi-Civita symbol e[0, 1, 2] = e[1, 2, 0] = e[2, 0, 1] = +1.0 # Levi-Civita symbol
@ -36,7 +35,7 @@ def curl(size,field):
def divergence(size,field): def divergence(size,field):
"""Calculate divergence of a vector or tensor field in Fourier space.""" """Calculate divergence of a vector or tensor field in Fourier space."""
n = np.prod(field.shape[3:]) n = np.prod(field.shape[3:])
k_s = __ks(size,field,True) k_s = __ks(size,field.shape[:3],True)
field_fourier = np.fft.rfftn(field,axes=(0,1,2)) field_fourier = np.fft.rfftn(field,axes=(0,1,2))
divergence = (np.einsum('ijkl,ijkl ->ijk', k_s,field_fourier)*2.0j*np.pi if n == 3 else # vector, 3 -> 1 divergence = (np.einsum('ijkl,ijkl ->ijk', k_s,field_fourier)*2.0j*np.pi if n == 3 else # vector, 3 -> 1
@ -48,7 +47,7 @@ def divergence(size,field):
def gradient(size,field): def gradient(size,field):
"""Calculate gradient of a vector or scalar field in Fourier space.""" """Calculate gradient of a vector or scalar field in Fourier space."""
n = np.prod(field.shape[3:]) n = np.prod(field.shape[3:])
k_s = __ks(size,field,True) k_s = __ks(size,field.shape[:3],True)
field_fourier = np.fft.rfftn(field,axes=(0,1,2)) field_fourier = np.fft.rfftn(field,axes=(0,1,2))
gradient = (np.einsum('ijkl,ijkm->ijkm', field_fourier,k_s)*2.0j*np.pi if n == 1 else # scalar, 1 -> 3 gradient = (np.einsum('ijkl,ijkm->ijkm', field_fourier,k_s)*2.0j*np.pi if n == 1 else # scalar, 1 -> 3
@ -72,7 +71,7 @@ def cell_displacement_fluct(size,F):
"""Cell center displacement field from fluctuation part of the deformation gradient field.""" """Cell center displacement field from fluctuation part of the deformation gradient field."""
integrator = 0.5j*size/np.pi integrator = 0.5j*size/np.pi
k_s = __ks(size,F,False) k_s = __ks(size,F.shape[:3],False)
k_s_squared = np.einsum('...l,...l',k_s,k_s) k_s_squared = np.einsum('...l,...l',k_s,k_s)
k_s_squared[0,0,0] = 1.0 k_s_squared[0,0,0] = 1.0