10
1
mirror of https://github.com/pfloos/quack synced 2024-12-22 04:13:52 +01:00
Commit Graph

1339 Commits

Author SHA1 Message Date
Abdallah Ammar
35d0df0eba create input dir 2024-11-15 19:13:05 +01:00
Abdallah Ammar
c2dfed3f29 create data basis for ci 2024-11-15 18:59:11 +01:00
Abdallah Ammar
fe01afdbdf user env on github machines 2024-11-15 18:55:39 +01:00
Abdallah Ammar
3e5e88d521 testing workflow 2024-11-15 18:51:25 +01:00
Abdallah Ammar
ffb526857b deb testing 2024-11-15 18:45:10 +01:00
Abdallah Ammar
87f37931fe deb testing 2024-11-15 18:43:11 +01:00
Abdallah Ammar
b23d504d32 deb testing 2024-11-15 18:42:24 +01:00
Abdallah Ammar
dadc7a13ad deb testing 2024-11-15 18:39:23 +01:00
Abdallah Ammar
b1fef5eba0 deb testing 2024-11-15 18:38:01 +01:00
Abdallah Ammar
657197136c deb testing 2024-11-15 18:36:56 +01:00
Abdallah Ammar
468f4e1cf4 rm configuration yml 2024-11-15 18:30:33 +01:00
Abdallah Ammar
8bf9c44027 workflow for testing 2024-11-15 17:22:07 +01:00
AbdAmmar
1cccc81c0d
Merge pull request #11 from pfloos/work_env
Work env
2024-11-15 11:38:01 +01:00
Abdallah Ammar
ea23222b35 workflow for checking compilation 2024-11-15 11:30:55 +01:00
Abdallah Ammar
069cb76a7a workflow for checkin dependencies 2024-11-15 11:21:47 +01:00
Abdallah Ammar
c3378e2ad4 added configure script for dependencies 2024-11-15 10:49:12 +01:00
Abdallah Ammar
ee2f5c648a Add submodule external/qp2-dependencies 2024-11-15 10:46:09 +01:00
Abdallah Ammar
152e5657de rm u/lap 2024-11-15 10:36:27 +01:00
Abdallah Ammar
89d7394e48 Update .gitmodules and remove utils/lapack-release submodule entry 2024-11-15 10:30:02 +01:00
Abdallah Ammar
933780a847 Merge branch 'master' into work_env 2024-11-05 07:57:26 +01:00
Abdallah Ammar
9986ff09dd q -> p in RGW_self_energy 2024-11-05 07:56:10 +01:00
Abdallah Ammar
c2031c9d8a Merge branch 'master' into work_env 2024-11-05 07:51:35 +01:00
Abdallah Ammar
52a1346bdb q -> p in GGW_self_energy 2024-11-05 07:48:49 +01:00
Abdallah Ammar
344c2bd4fa add ifort again 2024-11-05 07:45:50 +01:00
Abdallah Ammar
664a98e57f merge with master 2024-11-04 22:32:23 +01:00
Abdallah Ammar
e4f89c21f5 Merge branch 'master' into work_env 2024-11-04 22:14:26 +01:00
d1f9daa3e5 remove warning in ufG0T0pp 2024-11-04 19:35:42 +01:00
4692017d56 remove warnings 2024-11-04 19:30:06 +01:00
Abdallah Ammar
336c67ac3c rm more warnings in Davidson 2024-11-04 19:09:00 +01:00
Antoine Marie
9090133281 Merge branch 'master' of github.com:pfloos/QuAcK 2024-11-04 17:01:09 +01:00
Antoine Marie
0554bdd53f full ppBSE@GT and full dynBSE@GW in spin orbital and spatial orb 2024-11-04 17:00:51 +01:00
Abdallah Ammar
fcb9c16313 dav warnings 2024-11-04 15:15:49 +01:00
Abdallah Ammar
bb0d68eef0 fixed conflic bef merging 2024-11-04 11:31:36 +01:00
Abdallah Ammar
b0eb4cb55e saving work on Dav on Olympe 2024-11-04 11:29:41 +01:00
Abdallah Ammar
df8eedf64e handle the compilation options 2024-11-01 12:27:51 +01:00
Abdallah Ammar
3552975cee ensure QUACK_ROOT is defined 2024-11-01 10:59:35 +01:00
33a2debb3a Merge branch 'master' of github.com:pfloos/QuAcK 2024-10-31 19:36:15 +01:00
2500a98feb one micro modif in RGW_phBSE 2024-10-31 19:36:08 +01:00
Antoine Marie
6ed7fd09be saving work in T matrix kernel 2024-10-31 17:17:50 +01:00
Antoine Marie
21e5b55641 Merge branch 'master' of github.com:pfloos/QuAcK 2024-10-31 16:07:52 +01:00
Antoine Marie
5b5d3376c9 T matrix kernel of the ppBSE working in TDA in RHF and GHF 2024-10-31 16:07:25 +01:00
Abdallah Ammar
52894ba30e absolute PATH in Fortran I/O 2024-10-31 15:42:22 +01:00
Pierre-Francois Loos
6667fb79c1 debuging UACFDT 2024-10-31 12:15:01 +01:00
Abdallah Ammar
a6bc29e958 avoid rm error message if file does not exist 2024-10-31 11:16:55 +01:00
Abdallah Ammar
e0cee99d02 absolute path for mkdir 2024-10-31 11:12:18 +01:00
Abdallah Ammar
1f56026c29 separete binary code and I/O when --working_dir is used 2024-10-31 10:46:00 +01:00
127aeabf72 more cleaning 2024-10-30 10:44:39 +01:00
1a4ad3e225 cleaning 2024-10-30 10:08:39 +01:00
Antoine Marie
df7f38b7b5 ppBSE GT 2024-10-30 09:41:25 +01:00
Antoine Marie
1ca40c25c4 Merge branch 'master' of github.com:pfloos/QuAcK 2024-10-30 09:37:06 +01:00