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Use higher precision in some 2D irrep matrices. 

Former-commit-id: 9d6fa78f2157601fbec4fee16a1c51c093333d9b
This commit is contained in:
Marek Nečada 2019-07-29 21:38:43 +03:00
parent 22d9f05ef8
commit d2d0eba40c
1 changed files with 6 additions and 4 deletions
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10
qpms/symmetries.py
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@ -10,6 +10,8 @@ import numbers
import re import re
ň = None ň = None
s3long = np.sqrt(np.longdouble(3.))
def grouprep_try(tdict, src, im, srcgens, imgens, immultop = None, imcmp = None): def grouprep_try(tdict, src, im, srcgens, imgens, immultop = None, imcmp = None):
tdict[src] = im tdict[src] = im
for i in range(len(srcgens)): for i in range(len(srcgens)):
@ -192,13 +194,13 @@ def generate_grouprep(srcgroup, im_identity, srcgens, imgens, immultop = None, i
# matrices appearing in 2d representations of common groups as used in Bradley, Cracknell p. 61 (with arabic names instead of greek, because lambda is a keyword) # matrices appearing in 2d representations of common groups as used in Bradley, Cracknell p. 61 (with arabic names instead of greek, because lambda is a keyword)
epsilon = np.eye(2) epsilon = np.eye(2)
alif = np.array(((-1/2,-sqrt(3)/2),(sqrt(3)/2,-1/2))) alif = np.array(((-1/2,-s3long/2),(s3long/2,-1/2)))
bih = np.array(((-1/2,sqrt(3)/2),(-sqrt(3)/2,-1/2))) bih = np.array(((-1/2,s3long/2),(-s3long/2,-1/2)))
kaf = np.array(((0,1),(1,0))) kaf = np.array(((0,1),(1,0)))
lam = np.array(((1,0),(0,-1))) lam = np.array(((1,0),(0,-1)))
ra = np.array(((0,-1),(1,0))) ra = np.array(((0,-1),(1,0)))
mim = np.array(((-1/2,-sqrt(3)/2),(-sqrt(3)/2,1/2))) mim = np.array(((-1/2,-s3long/2),(-s3long/2,1/2)))
nun = np.array(((-1/2,sqrt(3)/2),(sqrt(3)/2,1/2))) nun = np.array(((-1/2,s3long/2),(s3long/2,1/2)))