| Commit | Date | |
|---|---|---|
| 2019-06-21 14:27:36 | Tree | |
|
[r484]
by
paulatz
Code taken up to level with libxc vectorization, this part is a bit tricky I hope everything works ok (the examples do) |
2019-06-04 08:24:54 | Tree |
| 2019-06-03 08:36:33 | Tree | |
| 2019-06-03 08:36:11 | Tree | |
| 2019-06-03 08:35:41 | Tree | |
|
[r480]
by
paulatz
An mpi barrier woould cause the code to stop if print_percent_wall is called inside a loop when the number of q-points is not a multiple of the number of CPUs |
2019-06-03 08:35:17 | Tree |
| 2019-06-03 08:33:40 | Tree | |
| 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 |