Martin Diehl 2020-05-13 10:47:49 +02:00
parent 6f3b526811
commit 66b928c5af
1 changed files with 14 additions and 13 deletions

View File

@ -229,19 +229,20 @@ class Symmetry:
Return inverse pole figure color if requested. Return inverse pole figure color if requested.
Bases are computed from Bases are computed from
basis = {'cubic' : np.linalg.inv(np.array([[0.,0.,1.], # direction of red >>> basis = {'cubic' : np.linalg.inv(np.array([[0.,0.,1.], # direction of red
[1.,0.,1.]/np.sqrt(2.), # direction of green ... [1.,0.,1.]/np.sqrt(2.), # direction of green
[1.,1.,1.]/np.sqrt(3.)]).T), # direction of blue ... [1.,1.,1.]/np.sqrt(3.)]).T), # direction of blue
'hexagonal' : np.linalg.inv(np.array([[0.,0.,1.], # direction of red ... 'hexagonal' : np.linalg.inv(np.array([[0.,0.,1.], # direction of red
[1.,0.,0.], # direction of green ... [1.,0.,0.], # direction of green
[np.sqrt(3.),1.,0.]/np.sqrt(4.)]).T), # direction of blue ... [np.sqrt(3.),1.,0.]/np.sqrt(4.)]).T), # direction of blue
'tetragonal' : np.linalg.inv(np.array([[0.,0.,1.], # direction of red ... 'tetragonal' : np.linalg.inv(np.array([[0.,0.,1.], # direction of red
[1.,0.,0.], # direction of green ... [1.,0.,0.], # direction of green
[1.,1.,0.]/np.sqrt(2.)]).T), # direction of blue ... [1.,1.,0.]/np.sqrt(2.)]).T), # direction of blue
'orthorhombic' : np.linalg.inv(np.array([[0.,0.,1.], # direction of red ... 'orthorhombic': np.linalg.inv(np.array([[0.,0.,1.], # direction of red
[1.,0.,0.], # direction of green ... [1.,0.,0.], # direction of green
[0.,1.,0.]]).T), # direction of blue ... [0.,1.,0.]]).T), # direction of blue
} ... }
""" """
if self.lattice == 'cubic': if self.lattice == 'cubic':
basis = {'improper':np.array([ [-1. , 0. , 1. ], basis = {'improper':np.array([ [-1. , 0. , 1. ],