msg-byu enumlib issues - Githubissues

msg-byu / enumlib

Derivative structure enumeration library

MIT License

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issues

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help wanted

#128 XinYu73 opened 2 weeks ago
0
Fortran Runtime Error in labeling_related.f90

#127 fadams-umd opened 3 weeks ago
0
Bug with makeStr.py for arrows

#126 nhew1994 opened 2 months ago
2
make 2Dplot.x does not work for me

#125 nhew1994 opened 2 months ago
2
Update support/input/struct_enum.in.fcc and support/EXAMPLES

#124 nhew1994 closed 2 months ago
0
Issues with cloning repository

#123 Lemc2000 closed 2 months ago
1
Compiling error for enum.x

#122 jywang17 closed 2 months ago
2
How to match elements to a created structure

#121 yanwenliao closed 1 month ago
3
Exchangable duplicates

#120 t-reents closed 1 year ago
2
Problem in enumerating fixed concentration and fixed size structures

#119 sgodse16 closed 1 year ago
5
Problem: STOP Bad inverse for transformation matrix: get_rotation_perm_lists

#118 Minotakm closed 1 year ago
8
Problem with input vectors in function 'is_equiv_lattice'

#117 t-reents closed 1 year ago
13
Add preamble to makeStr.py

#116 shyuep closed 1 year ago
1
Can not generate derivative structures with fixed concentration range

#115 Arindamsannyal closed 2 years ago
2
Compiling error and not linking to pymatgen EnumerateStructureTransformation()

#114 Asif-Iqbal-Bhatti closed 1 year ago
2
Error when make makestr.x

#113 thienbinh92 closed 1 year ago
2
ll

#112 XinhaoLi24 closed 2 years ago
0
Fixed bug introduced when fixing the "present" problem

#111 glwhart closed 3 years ago
0
Bug fix for problem introduced with inactive site extension

#110 glwhart closed 3 years ago
0
lines 1077 onward need some final work to fix the inactive site stuff…

#109 glwhart closed 3 years ago
0
Update conda channel

#108 jan-janssen closed 3 years ago
0
Conda-Forge packages

#107 shyamd closed 1 year ago
16
Updated makeStr.py

#106 glwhart closed 3 years ago
0
Modified the format of the 'conf_id' tag in MTP-style config files. T…

#105 glwhart closed 3 years ago
0
Increase the number of digits written when an mtp-style `cfg` file is created from struct_enum.out

#104 glwhart closed 3 years ago
0
error: make convert_structures_to_enumformat.x

#103 houzf closed 3 years ago
1
error from "make find_structure_in_list.x"

#102 houzf closed 1 year ago
2
Dead links to papers in README

#101 pmla closed 4 years ago
5
Fix inconsistent precision in lattice vectors for MTP.cfg

#100 braydenbekker closed 3 years ago
0
Cannot generate structures

#99 yufeib closed 1 year ago
3
Update to most recent symlib.

#98 wsmorgan closed 4 years ago
0
Update enumlib to latest copy of symlib

#97 glwhart closed 4 years ago
0
Merge pull request #1 from msg-byu/master

#96 glwhart closed 4 years ago
0
Changed some pointers to allocatables so UNCLE will compile

#95 glwhart closed 4 years ago
0
Cannot generate structures with more than 10 types.

#94 afonari opened 5 years ago
0
Need to reactivate some unit tests

#93 glwhart opened 5 years ago
0
Created a unit test of the enumeration routine for fixed sites.

#92 braydenbekker closed 5 years ago
0
Added automatic versioning functionality

#91 glwhart closed 5 years ago
1
Comparison to old/new results after SNF/HNF changes

#90 glwhart closed 5 years ago
0
Is it possible to tell which version of enumlib a given enum.x binary is?

#89 mkhorton closed 5 years ago
11
YAML: Change the input scheme so that users define input with a YAML file instead of fixed format input

#88 glwhart opened 5 years ago
0
Rev. 2.0.2

#87 jerjorg closed 5 years ago
0
Added 'conf_id' counter to the config writing function

#86 haydensoliver closed 5 years ago
2
Strange bug with enumeration of rock-salt system

#85 shyuep opened 5 years ago
9
EXAMPLES file is slightly out of date with new format of output file

#84 glwhart closed 5 years ago
1
Possible regression, "d-vector didn't permute in map_dvector_permutation"

#83 mkhorton closed 5 years ago
15
Fixed bug in `makeStr.py`.

#82 wsmorgan closed 5 years ago
1
New behavior is different that the old one

#81 afonari closed 5 years ago
11
Inactive site testing for recursively stabilized algorithm

#80 glwhart opened 5 years ago
1
Updated enumlib to handle inactive sites without enumerating them

#79 glwhart closed 5 years ago
0