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msg-byu
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enumlib
Derivative structure enumeration library
MIT License
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makeStr.py reading lattice point error
#78
googhgoo
closed
5 years ago
4
Failure when enumerate A1.2B0.8C1.4D0.6
#77
zhongpc
closed
5 years ago
4
Fix for issue #73.
#76
wsmorgan
closed
6 years ago
1
Exit with error should return non-zero exit code
#75
afonari
closed
5 years ago
1
Inconsistency on first example in walkthrough.
#74
natefoulk4
closed
6 years ago
0
Concentration restricted enumeration yields equivalent structures
#73
magnusrahm
closed
6 years ago
2
Arrow enumeration fails for non cubic cases
#72
wsmorgan
closed
5 years ago
1
fatal error when compile enumlib
#71
woshijamess
closed
6 years ago
5
Add Travis CI
#70
afonari
closed
6 years ago
0
Exit gracefully when index is out of range
#69
afonari
closed
6 years ago
1
error when using enumlib
#68
Backtorp
closed
6 years ago
2
enumlib crash
#67
afonari
closed
6 years ago
6
d-vector didn't permute in map_dvector_permutation
#66
afonari
closed
6 years ago
2
Tests needed for the supercell generator...and we have no metric yet
#65
glwhart
opened
6 years ago
0
Second command-line argument to enforce original algorithm
#64
glwhart
opened
6 years ago
2
Updates to the supercell code.
#63
wsmorgan
closed
6 years ago
1
Allow old algorithm (to get the degeneracies) to be enforced through command-line parameter
#62
afonari
closed
6 years ago
3
Degeneracy question
#61
afonari
closed
5 years ago
10
Allow large cells in POSCARs from makeStr.f90
#60
afonari
closed
6 years ago
0
Added the ability for `makeStr.py` to write config files in addition to VASP POSCARs.
#59
wsmorgan
closed
6 years ago
0
Zeros removed from concentration list by `makeStr.py`
#58
wsmorgan
closed
6 years ago
2
Make termcolor optional in makeStr.py
#57
afonari
closed
6 years ago
2
Fixed the bug reported in issue #54.
#56
wsmorgan
closed
6 years ago
1
Fixed rounding error in HNF_profiler.f90.
#55
wsmorgan
closed
6 years ago
1
Possible bug in makeStr.py
#54
feifzhou
closed
6 years ago
2
Adding supercell convergence code and fixing bug in makeStr.py
#53
wsmorgan
closed
6 years ago
6
Question about concentration constraint
#52
feifzhou
closed
6 years ago
10
Possible bug in non-concentration restricted cases.
#51
wsmorgan
closed
6 years ago
1
Help with fixed concentrations input
#50
afonari
closed
6 years ago
4
Update to revision 1.0.12
#49
wsmorgan
closed
6 years ago
0
IMPT: Potentially severe issue in Enumlib
#48
shyuep
closed
6 years ago
2
Updated to Revision 1.0.10
#47
nycmouli
closed
6 years ago
2
Fixed bug reported in issue #45
#46
wsmorgan
closed
7 years ago
0
makestr.py is generating the wrong structure
#45
nycmouli
closed
7 years ago
2
Tagged release
#44
mkhorton
closed
7 years ago
4
Enumlib is very slow for supercells
#43
shyuep
closed
5 years ago
15
Finally got the symlib submodule to update properly.
#42
wsmorgan
closed
7 years ago
1
Fixed a line I missed in the Makefile. Updated the symlib version being checked out.
#41
wsmorgan
closed
7 years ago
0
polya seems to have disappeared?
#40
shyuep
closed
7 years ago
8
Fixed errors with compilation of some of the lesser used executables. Removed polya submodule.
#39
wsmorgan
closed
7 years ago
0
Can't compile makeperovstr.x
#38
wsmorgan
closed
7 years ago
1
Can't compile convert_structures_to_enumformat.x.
#37
wsmorgan
closed
7 years ago
1
Update makefile to compile dependencies.
#36
wsmorgan
closed
7 years ago
1
Can't compile 2Dplot.x
#35
wsmorgan
closed
1 year ago
4
Problem in makefile (path to libraries)
#34
glwhart
closed
7 years ago
1
compare_enum_files.x won't compile.
#33
wsmorgan
closed
7 years ago
3
Update to revision 1.0.6.
#32
wsmorgan
closed
7 years ago
0
Incorrect conditions for enum3 usage.
#31
wsmorgan
closed
7 years ago
2
Fixed a bug in makeStr.py. Now at revision 1.0.5.
#30
wsmorgan
closed
7 years ago
0
Mac OSX compile fails
#29
shyuep
closed
7 years ago
1
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