d3q Code
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Code Commit Log
| Commit | Date | |
|---|---|---|
| 2019-05-06 20:36:17 | Tree | |
|
[r477]
by
paulatz
relatively decent QHA implementation added, documentation still lacking. Fun to use in conjunction with d3_db.x |
2019-05-06 20:26:06 | Tree |
|
[r476]
by
paulatz
The EOS from PW/tools/ev.f0 converted to library and interfaced with the Powell minimization (grabbed from the internet and made into a library as well). The original very simple minimization still exists |
2019-05-06 20:18:50 | Tree |
|
[r475]
by
paulatz
Dynbubble code polished a bit and removed the use of Bubble_sort in favour of quicksort |
2019-05-06 20:16:39 | Tree |
| 2019-04-29 07:26:19 | Tree | |
| 2019-04-29 07:17:55 | Tree | |
| 2019-04-28 10:08:03 | Tree | |
|
[r471]
by
paulatz
fc2mat2R now can be used for more than 33 atoms import_phononpy split in a code for VASP generated force constant file (untested) and a QE one (tested) |
2019-04-04 09:28:28 | Tree |
| 2019-03-04 16:57:07 | Tree | |
| 2019-03-04 16:25:30 | Tree |