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• 66566a8ce7 added Aph_dRPA_sing kernel Abdallah Ammar 2024-11-26 23:00:15 +01:00
• 9c42437746 linking with quack-cuda: OK Abdallah Ammar 2024-11-26 19:31:44 +01:00
• 41dd532d0e linked CUDA module with QuAcK properley Abdallah Ammar 2024-11-26 16:33:06 +01:00
• a10e4c8c23 update make_ninja file for cuda objects Abdallah Ammar 2024-11-26 15:26:03 +01:00
• 3009ffe8f7 dRPA-CUDA: saving Abdallah Ammar 2024-11-26 14:36:42 +01:00
• cff0232eb5 workin on dRPA with CUDA Abdallah Ammar 2024-11-26 09:37:46 +01:00
• 5cf9919143 ci on master Abdallah Ammar 2024-11-26 01:30:41 +01:00
• 01ccecd866 ensure correct path in quack rc Abdallah Ammar 2024-11-25 11:25:17 +01:00
• f5604e0264 fix quack.rc Pierre-Francois Loos 2024-11-25 11:10:27 +01:00
• 4fd5cec4be fixing merge with ci Pierre-Francois Loos 2024-11-25 10:45:13 +01:00
• 785683a111 few modifs Abdallah Ammar 2024-11-16 13:38:16 +01:00
• da5ce79643 few modifs Abdallah Ammar 2024-11-16 13:37:37 +01:00
• f569587034 rm spinner simulation for CI Abdallah Ammar 2024-11-15 19:52:24 +01:00
• 35d0df0eba create input dir Abdallah Ammar 2024-11-15 19:13:05 +01:00
• c2dfed3f29 create data basis for ci Abdallah Ammar 2024-11-15 18:59:11 +01:00
• fe01afdbdf user env on github machines Abdallah Ammar 2024-11-15 18:55:39 +01:00
• 3e5e88d521 testing workflow Abdallah Ammar 2024-11-15 18:51:25 +01:00
• ffb526857b deb testing Abdallah Ammar 2024-11-15 18:45:10 +01:00
• 87f37931fe deb testing Abdallah Ammar 2024-11-15 18:43:11 +01:00
• b23d504d32 deb testing Abdallah Ammar 2024-11-15 18:42:24 +01:00
• dadc7a13ad deb testing Abdallah Ammar 2024-11-15 18:39:23 +01:00
• b1fef5eba0 deb testing Abdallah Ammar 2024-11-15 18:38:01 +01:00
• 657197136c deb testing Abdallah Ammar 2024-11-15 18:36:56 +01:00
• 468f4e1cf4 rm configuration yml Abdallah Ammar 2024-11-15 18:30:33 +01:00
• 8bf9c44027 workflow for testing Abdallah Ammar 2024-11-15 17:22:07 +01:00
• 1cccc81c0d
  Merge pull request #11 from pfloos/work_env AbdAmmar 2024-11-15 11:38:01 +01:00
• ea23222b35 workflow for checking compilation Abdallah Ammar 2024-11-15 11:30:55 +01:00
• 069cb76a7a workflow for checkin dependencies Abdallah Ammar 2024-11-15 11:21:47 +01:00
• c3378e2ad4 added configure script for dependencies Abdallah Ammar 2024-11-15 10:49:12 +01:00
• ee2f5c648a Add submodule external/qp2-dependencies Abdallah Ammar 2024-11-15 10:46:09 +01:00
• 152e5657de rm u/lap Abdallah Ammar 2024-11-15 10:36:27 +01:00
• 89d7394e48 Update .gitmodules and remove utils/lapack-release submodule entry Abdallah Ammar 2024-11-15 10:30:02 +01:00
• 933780a847 Merge branch 'master' into work_env Abdallah Ammar 2024-11-05 07:57:26 +01:00
• 9986ff09dd q -> p in RGW_self_energy Abdallah Ammar 2024-11-05 07:56:10 +01:00
• c2031c9d8a Merge branch 'master' into work_env Abdallah Ammar 2024-11-05 07:51:35 +01:00
• 52a1346bdb q -> p in GGW_self_energy Abdallah Ammar 2024-11-05 07:48:49 +01:00
• 344c2bd4fa add ifort again Abdallah Ammar 2024-11-05 07:45:50 +01:00
• 664a98e57f merge with master Abdallah Ammar 2024-11-04 22:32:23 +01:00
• e4f89c21f5 Merge branch 'master' into work_env Abdallah Ammar 2024-11-04 22:14:26 +01:00
• d1f9daa3e5 remove warning in ufG0T0pp pfloos 2024-11-04 19:35:42 +01:00
• 4692017d56 remove warnings pfloos 2024-11-04 19:30:06 +01:00
• 336c67ac3c rm more warnings in Davidson Abdallah Ammar 2024-11-04 19:09:00 +01:00
• 9090133281 Merge branch 'master' of github.com:pfloos/QuAcK Antoine Marie 2024-11-04 17:01:09 +01:00
• 0554bdd53f full ppBSE@GT and full dynBSE@GW in spin orbital and spatial orb Antoine Marie 2024-11-04 17:00:51 +01:00
• fcb9c16313 dav warnings Abdallah Ammar 2024-11-04 15:07:50 +01:00
• bb0d68eef0 fixed conflic bef merging Abdallah Ammar 2024-11-04 11:31:36 +01:00
• b0eb4cb55e saving work on Dav on Olympe Abdallah Ammar 2024-11-04 11:29:41 +01:00
• df8eedf64e handle the compilation options Abdallah Ammar 2024-11-01 12:27:51 +01:00
• 3552975cee ensure QUACK_ROOT is defined Abdallah Ammar 2024-11-01 10:59:35 +01:00
• 33a2debb3a Merge branch 'master' of github.com:pfloos/QuAcK pfloos 2024-10-31 19:36:15 +01:00
• 2500a98feb one micro modif in RGW_phBSE pfloos 2024-10-31 19:36:08 +01:00
• 6ed7fd09be saving work in T matrix kernel Antoine Marie 2024-10-31 17:17:50 +01:00
• 21e5b55641 Merge branch 'master' of github.com:pfloos/QuAcK Antoine Marie 2024-10-31 16:07:52 +01:00
• 5b5d3376c9 T matrix kernel of the ppBSE working in TDA in RHF and GHF Antoine Marie 2024-10-31 16:07:25 +01:00
• 52894ba30e absolute PATH in Fortran I/O Abdallah Ammar 2024-10-31 15:42:22 +01:00
• 6667fb79c1 debuging UACFDT Pierre-Francois Loos 2024-10-31 12:15:01 +01:00
• a6bc29e958 avoid rm error message if file does not exist Abdallah Ammar 2024-10-31 11:16:55 +01:00
• e0cee99d02 absolute path for mkdir Abdallah Ammar 2024-10-31 11:12:18 +01:00
• 1f56026c29 separete binary code and I/O when --working_dir is used Abdallah Ammar 2024-10-31 10:46:00 +01:00
• 127aeabf72 more cleaning pfloos 2024-10-30 10:44:39 +01:00
• 1a4ad3e225 cleaning pfloos 2024-10-30 10:08:39 +01:00
• df7f38b7b5 ppBSE GT Antoine Marie 2024-10-30 09:41:25 +01:00
• 1ca40c25c4 Merge branch 'master' of github.com:pfloos/QuAcK Antoine Marie 2024-10-30 09:37:06 +01:00
• 6c37311e38 ppBSE GT Antoine Marie 2024-10-30 09:36:36 +01:00
• 9b32dbd749 fix stupid bug in UGW static kernel pfloos 2024-10-30 09:28:39 +01:00
• f2ead7138b read mol geom from working dir Abdallah Ammar 2024-10-29 23:43:33 +01:00
• 61288e474d ppBSE dynamic correction for the block D is working Antoine Marie 2024-10-25 14:44:35 +02:00
• 7c972806a0 Merge branch 'master' of github.com:pfloos/QuAcK Antoine Marie 2024-10-23 18:07:04 +02:00
• ba01dd71fa looking for a bug in UGW_phBSE pfloos 2024-10-15 02:14:51 +08:00
• 2472e632f8 fixing UGW_phBSE and UGW_phACFDT pfloos 2024-10-14 04:11:48 +02:00
• 96100f5cfd remove ccGW for now pfloos 2024-10-11 15:34:35 +02:00
• eca55bbcd8 save modified file to pull Antoine Marie 2024-10-10 09:53:32 +02:00
• da6dada877 clean GTpp in progress but unfinished Pierre-Francois Loos 2024-10-01 16:14:33 +02:00
• 75479f07f2 proper spin adaptation in GTpp Pierre-Francois Loos 2024-10-01 14:42:37 +02:00
• 19be97355d saving pfloos 2024-10-01 09:42:25 +02:00
• 172ca40f37 saving worj in ccGW pfloos 2024-09-30 23:06:00 +02:00
• 80f393ded2 typo flow RG0W0 Pierre-Francois Loos 2024-09-27 15:31:38 +02:00
• ccd4ad570b saving work in ppBSE@GW pfloos 2024-09-26 23:04:45 +02:00
• b103364b76 mess Pierre-Francois Loos 2024-09-26 20:06:23 +02:00
• 3494a6605a missing file Pierre-Francois Loos 2024-09-26 19:54:04 +02:00
• 26fde9363c debugging uf ppBSE Pierre-Francois Loos 2024-09-26 17:55:06 +02:00
• 88b0424cd3 GGW ppBSE dyn Pierre-Francois Loos 2024-09-26 14:26:52 +02:00
• dc0f77d525 uf ppBSE Pierre-Francois Loos 2024-09-24 17:18:45 +02:00
• 27a1aaa5e9 cleanup pfloos 2024-09-19 20:38:18 +02:00
• 486fde26d5 new logo Pierre-Francois Loos 2024-09-19 17:09:20 +02:00
• f6b18f3c2a eomGW pfloos 2024-09-18 18:08:24 +02:00
• 8f94e0abdd clean up in ccG0W0 pfloos 2024-09-17 20:15:06 +02:00
• 0e43294211 clean up in ccG0W0 pfloos 2024-09-17 20:13:18 +02:00
• 42f5439924 ccG0W0 with minimal memory and DIIS pfloos 2024-09-17 19:12:45 +02:00
• 2fd282fcce saving wok in ccGW Pierre-Francois Loos 2024-09-17 17:17:57 +02:00
• 8b7c715811 more efficient ccG0W0 Pierre-Francois Loos 2024-09-17 16:39:38 +02:00
• 4fa5706b90 ccRG0W0 Pierre-Francois Loos 2024-09-17 14:31:48 +02:00
• 5fa70be11e ok with ccGW pfloos 2024-09-17 09:10:16 +02:00
• 6ad0cedc6e saving work in CCGW pfloos 2024-09-16 23:32:38 +02:00
• 94f5fd416f CC-based GW pfloos 2024-09-16 22:30:23 +02:00
• 81257ad362 working in CCGW Pierre-Francois Loos 2024-09-16 16:00:04 +02:00
• 4d66fbc20d working in CCGW Pierre-Francois Loos 2024-09-16 15:59:16 +02:00
• 37d312c789 ppBSE upfolded Pierre-Francois Loos 2024-09-16 11:00:19 +02:00
• 32998c8a32 symmetrized upfolded phBSE scheme pfloos 2024-09-14 23:25:38 +02:00
• c03e607ede ppBSE upfolded written pfloos 2024-09-13 23:22:48 +02:00