LCPQ/quack
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mirror of https://github.com/pfloos/quack synced 2025-01-03 01:56:09 +01:00
Code Releases Activity

Commit Graph

  • 6c37311e38 ppBSE GT Antoine Marie 2024-10-30 09:36:36 +0100
  • 9b32dbd749 fix stupid bug in UGW static kernel pfloos 2024-10-30 09:28:39 +0100
  • f2ead7138b read mol geom from working dir Abdallah Ammar 2024-10-29 23:43:33 +0100
  • 61288e474d ppBSE dynamic correction for the block D is working Antoine Marie 2024-10-25 14:44:35 +0200
  • 7c972806a0 Merge branch 'master' of github.com:pfloos/QuAcK Antoine Marie 2024-10-23 18:07:04 +0200
  • ba01dd71fa looking for a bug in UGW_phBSE pfloos 2024-10-15 02:14:51 +0800
  • 2472e632f8 fixing UGW_phBSE and UGW_phACFDT pfloos 2024-10-14 04:11:48 +0200
  • 96100f5cfd remove ccGW for now pfloos 2024-10-11 15:34:35 +0200
  • eca55bbcd8 save modified file to pull Antoine Marie 2024-10-10 09:53:32 +0200
  • da6dada877 clean GTpp in progress but unfinished Pierre-Francois Loos 2024-10-01 16:14:33 +0200
  • 75479f07f2 proper spin adaptation in GTpp Pierre-Francois Loos 2024-10-01 14:42:37 +0200
  • 19be97355d saving pfloos 2024-10-01 09:42:25 +0200
  • 172ca40f37 saving worj in ccGW pfloos 2024-09-30 23:06:00 +0200
  • 80f393ded2 typo flow RG0W0 Pierre-Francois Loos 2024-09-27 15:31:38 +0200
  • ccd4ad570b saving work in ppBSE@GW pfloos 2024-09-26 23:04:45 +0200
  • b103364b76 mess Pierre-Francois Loos 2024-09-26 20:06:23 +0200
  • 3494a6605a missing file Pierre-Francois Loos 2024-09-26 19:54:04 +0200
  • 26fde9363c debugging uf ppBSE Pierre-Francois Loos 2024-09-26 17:55:06 +0200
  • 88b0424cd3 GGW ppBSE dyn Pierre-Francois Loos 2024-09-26 14:26:52 +0200
  • dc0f77d525 uf ppBSE Pierre-Francois Loos 2024-09-24 17:18:45 +0200
  • 27a1aaa5e9 cleanup pfloos 2024-09-19 20:38:18 +0200
  • 486fde26d5 new logo Pierre-Francois Loos 2024-09-19 17:09:20 +0200
  • f6b18f3c2a eomGW pfloos 2024-09-18 18:08:24 +0200
  • 8f94e0abdd clean up in ccG0W0 pfloos 2024-09-17 20:15:06 +0200
  • 0e43294211 clean up in ccG0W0 pfloos 2024-09-17 20:13:18 +0200
  • 42f5439924 ccG0W0 with minimal memory and DIIS pfloos 2024-09-17 19:12:45 +0200
  • 2fd282fcce saving wok in ccGW Pierre-Francois Loos 2024-09-17 17:17:57 +0200
  • 8b7c715811 more efficient ccG0W0 Pierre-Francois Loos 2024-09-17 16:39:38 +0200
  • 4fa5706b90 ccRG0W0 Pierre-Francois Loos 2024-09-17 14:31:48 +0200
  • 5fa70be11e ok with ccGW pfloos 2024-09-17 09:10:16 +0200
  • 6ad0cedc6e saving work in CCGW pfloos 2024-09-16 23:32:38 +0200
  • 94f5fd416f CC-based GW pfloos 2024-09-16 22:30:23 +0200
  • 81257ad362 working in CCGW Pierre-Francois Loos 2024-09-16 16:00:04 +0200
  • 4d66fbc20d working in CCGW Pierre-Francois Loos 2024-09-16 15:59:16 +0200
  • 37d312c789 ppBSE upfolded Pierre-Francois Loos 2024-09-16 11:00:19 +0200
  • 32998c8a32 symmetrized upfolded phBSE scheme pfloos 2024-09-14 23:25:38 +0200
  • c03e607ede ppBSE upfolded written pfloos 2024-09-13 23:22:48 +0200
  • 767db708c9 working on ufBSE Pierre-Francois Loos 2024-09-13 16:22:15 +0200
  • 180ed63d74 fix bug Pierre-Francois Loos 2024-09-13 09:52:31 +0200
  • 77fea9a9bd redefine ppLR matrix Pierre-Francois Loos 2024-09-13 09:33:43 +0200
  • ac03c0e109 Merge branch 'master' of github.com:pfloos/QuAcK pfloos 2024-09-12 22:01:13 +0200
  • 647f27fb62 ok with RG0T0pp now pfloos 2024-09-12 22:01:06 +0200
  • 976c3d2cbb
         Update README.md Pierre-Francois Loos 2024-09-12 21:24:53 +0200
  • 8ec7d3d170 new routine to fix GTpp pfloos 2024-09-12 20:10:02 +0200
  • 6290634d87 fix bug in sort_ppRPA Pierre-Francois Loos 2024-09-12 17:14:04 +0200
  • ff7cff0963 fix bug in ppBSE dynamic kernel and subroutine names Pierre-Francois Loos 2024-09-12 15:46:11 +0200
  • 90cc34c81a forget print file pfloos 2024-09-11 22:14:30 +0200
  • 568507a183 ok for now with SRG pfloos 2024-09-11 22:13:45 +0200
  • d1c29af200 fix bug in SRG in U branch pfloos 2024-09-11 21:58:25 +0200
  • d63472bb0b fix bug in SRG pfloos 2024-09-11 21:40:38 +0200
  • bf77863d6c QP search for SRG done pfloos 2024-09-11 20:35:07 +0200
  • 04a42701e2 working on SRG for GW pfloos 2024-09-11 18:41:27 +0200
  • 6a7b0337d9 remove more SRG pfloos 2024-09-11 17:59:28 +0200
  • 9f98f7b856 remove SRG-qsGW methods pfloos 2024-09-11 17:58:36 +0200
  • c2d92e2299 UGW_SRG pfloos 2024-09-11 17:21:43 +0200
  • da7bdcd809 fusion SRG into qsGW pfloos 2024-09-11 15:09:40 +0200
  • 9ce21a9d2b Merge branch 'master' of github.com:pfloos/QuAcK pfloos 2024-09-11 11:39:13 +0200
  • eb6f35a799 starting cleaning SRG pfloos 2024-09-11 11:39:03 +0200
  • ab4cca296e fixed openmp bug Abdallah Ammar 2024-09-11 10:51:37 +0200
  • b329da2d1c Merge branch 'master' of https://github.com/pfloos/QuAcK Abdallah Ammar 2024-09-11 10:43:29 +0200
  • abc74b8ced opt in RGW_excitation_density Abdallah Ammar 2024-09-11 10:43:07 +0200
  • c1107474ff more cleaning pfloos 2024-09-11 10:13:11 +0200
  • f04ea269da more optim in BSE (davidson) kernels Abdallah Ammar 2024-09-11 09:51:07 +0200
  • ee2fa09dda optimized ppBSE kernels for Davidson: ispin = 2 + ERI access improv Abdallah Ammar 2024-09-11 01:36:42 +0200
  • 0deffa8638 Merge branch 'master' of https://github.com/pfloos/QuAcK Abdallah Ammar 2024-09-11 00:25:47 +0200
  • 13d9ce5eda optimized ppBSE kernels for Davidson Abdallah Ammar 2024-09-11 00:25:42 +0200
  • 34fba9ed9c remove RMP3 Pierre-Francois Loos 2024-09-10 17:08:16 +0200
  • 66c59f85a1 remove unnecessary code in AOtoMO Pierre-Francois Loos 2024-09-10 17:05:03 +0200
  • ba54a465a7 Merge branch 'master' of github.com:pfloos/QuAcK Pierre-Francois Loos 2024-09-10 16:44:05 +0200
  • 66dfcd6ae7 move orthogonalization matrix Pierre-Francois Loos 2024-09-10 16:43:58 +0200
  • 4f24625c9d Merge branch 'master' of https://github.com/pfloos/QuAcK Abdallah Ammar 2024-09-10 16:27:52 +0200
  • 0d8601d0e2 Davidson refact + add BSEpp@GW kernels (naive version) Abdallah Ammar 2024-09-10 16:27:49 +0200
  • d55584295d more cleanup (dity up) Pierre-Francois Loos 2024-09-10 15:11:06 +0200
  • e01b6bedd1 Merge branch 'master' of github.com:pfloos/QuAcK Pierre-Francois Loos 2024-09-10 14:35:52 +0200
  • 055fd3712a karlsruhe XBS version Pierre-Francois Loos 2024-09-10 14:35:45 +0200
  • 33439ca350 Merge branch 'master' of https://github.com/pfloos/QuAcK Abdallah Ammar 2024-09-10 10:13:55 +0200
  • bb337206eb refactoring in Davidson Abdallah Ammar 2024-09-10 10:13:50 +0200
  • 826d80d594 more cleanup Pierre-Francois Loos 2024-09-10 09:40:22 +0200
  • 65ba14706c cleanup in RG0W0 Pierre-Francois Loos 2024-09-10 09:34:46 +0200
  • e2617c1113 debugging AC@BSE pfloos 2024-09-09 20:49:35 +0200
  • 0cbd4fb10f create G routines and remove duplicated code pfloos 2024-09-08 17:23:23 +0200
  • b6652240d3 GG0T0pp pfloos 2024-09-08 17:15:27 +0200
  • d5a396200e remove redundant code pfloos 2024-09-08 16:19:03 +0200
  • 8c01e47080 reduce lines to <= 132 char Abdallah Ammar 2024-09-08 16:11:34 +0200
  • 9e5c2c629f rm olympe by default Abdallah Ammar 2024-09-07 14:02:43 +0200
  • 3142c59066 Merge branch 'master' of https://github.com/pfloos/QuAcK Abdallah Ammar 2024-09-07 13:59:20 +0200
  • 178cf40214 added Davidson for ppLR_RG0T0pp Abdallah Ammar 2024-09-07 13:59:15 +0200
  • f85bd15e03 creating new routines gor G branch in RPA, LR, GF and GW pfloos 2024-09-06 22:14:51 +0200
  • 27f14363c7 phGLR subroutines pfloos 2024-09-06 21:35:42 +0200
  • b9da29a020 openmp in ppbse@gf2 Antoine Marie 2024-09-06 20:54:12 +0200
  • 4134aadac5 fixed ppBSE@GF2, still need to add openMP on loops Antoine Marie 2024-09-06 20:40:54 +0200
  • cd25d07f6f ebugging GF2 ppBSE spin adaptation Pierre-Francois Loos 2024-09-06 16:16:16 +0200
  • c9a269cbb6 ppBSE@GF2@GHF Pierre-Francois Loos 2024-09-06 15:54:24 +0200
  • 07a625d854 Merge branch 'master' of github.com:pfloos/QuAcK Antoine Marie 2024-09-06 15:22:51 +0200
  • fa69888f48 ppBSE@GW@GHF Pierre-Francois Loos 2024-09-06 13:47:15 +0200
  • 95a7372e2f rename BSE files in GF2 Antoine Marie 2024-09-06 11:50:43 +0200
  • 3111666d15 openMP implementation of the VV block for ppBSE@GF2 Antoine Marie 2024-09-06 11:26:47 +0200
  • 2fd6158722 small print again Pierre-Francois Loos 2024-09-04 16:17:44 +0200
  • 4d022994c9 small print Pierre-Francois Loos 2024-09-04 16:16:29 +0200
  • 4a6b95aac7 added local svd Abdallah Ammar 2024-09-04 08:22:03 +0200