AFLOW V3.1.157

History of new functionality and patches.

AFLOW V3.1.157

Postby coreyoses » Tue Jan 09, 2018 3:58 pm

2017/12/19 -
Working on mpcdf-draco (SC)
Replaced pgroupk with pgroupk_xtal for resolving IBZ in APL/AAPL (CO)
Fixed pgroupk_xtal flag and wyckoff position for sg133 (DX)
(aflowrc.cpp,APL/apl_supercell.cpp,APL/apl_mpmesh.cpp,APL/aapl_tcond.cpp,lattice.cpp,symmetry_spacegroup_ITC_library.cpp)
Corey Oses
AFLOW Developer
coreyoses
 
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