AFLOW V3.1.171

History of new functionality and patches.

AFLOW V3.1.171

Postby coreyoses » Fri Feb 23, 2018 7:42 pm

2018/02/21
Location: http://materials.duke.edu/AFLOW/aflow.3.1.171.tgz
-- fixed multiple degeneracy prints in POCC (CO)
-- added directory information to logging functions in bader/chull (CO)
-- added --destination=|--path= flag for output of chull (CO)
-- use full path (pwd) for working directory in AFLOW-SYM functions (DX)
-- fixed directory flag for AFLOW-SYM functions (DX)
-- fixed typo in site symmetry of Wyckoff position "a" for space group #109 (DX)
(AUROSTD: aurostd.h, main.cpp)
(AFLOW: aconvasp_main.cpp, bader.cpp, bader.h, chull.cpp, chull.h, poccupation_edos.cpp, symmetry_spacegroup_ITC_library.cpp, Makefile, README_AFLOW_ACONVASP.TXT, README_AFLOW_CHULL.TXT)
Corey Oses
AFLOW Developer
coreyoses
 
Posts: 106
Joined: Wed May 31, 2017 2:23 pm

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