pshell_config/x04sa-es3
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gac-x04sa
2018-10-31 14:27:14 +01:00
parent b974fcc1c6
commit 7af741ed2f
1 changed files with 10 additions and 14 deletions
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24
script/geometry/fourcv-daq1.py
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@@ -29,22 +29,19 @@ ub.listub()
# Create a new ub calculation and set lattice parameters
ub.newub('test')
"""
ub.setlat('cubic', 7.723, 7.723, 7.723, 90.0, 89.265, 90.0)
ub.setlat('tetragonal', 7.723, 7.707, 7.723, 90.0, 89.265, 90.0)
#en = 12.4
en = 9.5
ub.addref([0, 0, 2.055], [10.0, 0.0, 20.0, 0.0], en)
ub.addref([1, 0, 1], [20.0, 45.5564,90.000, 44.4437], en)
ub.addref([0, 1, 1], [20.0, 45.5564,90.000, 134.4437], en)
ub.addref([0, 0, 2], [9.78, 9.749, 19.586, 93.1159], en)
ub.ub()
"""
ub.setub([[0.81363,0.00000,0.00000], [-0.00000,0.81526,0.00000], [-0.01044,-0.00000,0.81357]])
#ub.ub()
#ub.setub([[0.81363,0.00000,0.00000], [-0.00000,0.81526,0.00000], [-0.01044,-0.00000,0.81357]])
# check the state
ub.trialub()
ub.checkub()
@@ -52,12 +49,11 @@ ub.checkub()
###################################################################################################\
#Constraints
###################################################################################################
help(hkl.con)
#hkl.con('a_eq_b')
#help(hkl.con)
hkl.con('a_eq_b')
#hkl.con('eta:0')
hkl.con( 'eta', 0) #OmegaV constant
#hkl.con( 'eta', 0) #OmegaV constant
#hkl.con( 'mu', 20) #Alpha constant