LCPQ
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quack
mirror of https://github.com/pfloos/quack
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Code Releases Activity
659 Commits 5 Branches 1 Tag 18 MiB
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659 Commits

Author SHA1 Message Date
Pierre-Francois Loos 99aa500483 missing files for BSE2@GW 2022-11-28 15:21:05 +01:00
Pierre-Francois Loos d2082f55f8 implementation of BSE2@GW 2022-11-28 15:05:29 +01:00
Pierre-Francois Loos 5a561e0ed9 update eDFT module 2022-11-28 10:52:06 +01:00
Pierre-Francois Loos c3ee45b504 fix def2-tzvp* 2022-11-08 15:40:23 +01:00
Pierre-Francois Loos 68d95544ae clean up QuAcK 2022-11-08 15:38:46 +01:00
Pierre-Francois Loos b5499435ae numgrid install problem 2022-10-20 16:20:59 +02:00
Pierre-Francois Loos 37030fe797 CCGW 2022-10-13 21:20:37 +02:00
Pierre-Francois Loos f9497363b2 CCGW 2022-09-29 16:01:02 +02:00
Pierre-Francois Loos 96621bd038 adding routines for MBPT vs CC 2022-09-28 16:09:09 +02:00
Pierre-Francois Loos 69bab74d81 EE-EOM-CCD 2022-09-27 16:43:24 +02:00
Pierre-Francois Loos 1f2f6634bb DIP- and DEA-EOM-CCD 2022-09-27 14:07:31 +02:00
Pierre-Francois Loos 68008e5738 working on ppBSE@GT 2022-09-09 21:48:50 +02:00
Pierre-Francois Loos 13ed518704 correct a few bugs in ppBSE 2022-08-17 16:53:59 +02:00
Pierre-Francois Loos 3acc640eee excitation vectors for ppRPA and ppBSE 2022-08-17 15:52:13 +02:00
Pierre-Francois Loos 68672a74b9 adding option for ppBSE 2022-08-17 14:38:00 +02:00
Pierre-Francois Loos 93564f350d ppBSE@G0W0 2022-08-17 14:32:14 +02:00
Pierre-Francois Loos 715c97a1e3 guess read implementation 2022-08-16 15:59:15 +02:00
Pierre-Francois Loos 20264ca56c fix bug in iterative dynamic correction 2022-08-15 09:49:57 +02:00
EnzoMonino f8880b24e1 qsUGT still not working 2022-02-25 11:33:13 +01:00
EnzoMonino 9f2bb3ba7d qsUGT 2022-02-25 09:40:39 +01:00
EnzoMonino cb0054c441 changed cutoff in ufG0W0 2022-02-18 16:29:17 +01:00
EnzoMonino 4ab817e39d evUGT working 2022-02-17 08:51:35 +01:00
EnzoMonino 31e9911797 evUGT not working yet 2022-02-16 22:24:43 +01:00
EnzoMonino a878fc6e3b UG0T0 2022-02-16 21:27:35 +01:00
EnzoMonino 907bb2aa78 evUGT 2022-02-16 13:29:22 +01:00
Pierre-Francois Loos 0b4abc2d91 fix merge 2022-02-15 20:15:21 +01:00
Pierre-Francois Loos 1dea272863 commit before enzo pull 2022-02-15 20:14:01 +01:00
EnzoMonino ab27723b51 UG0T0 2022-02-15 14:08:11 +01:00
EnzoMonino 86f501cb78 ppURPA 2022-02-15 13:51:18 +01:00
EnzoMonino d4c50fa39e print_UG0T0.f90 2022-02-08 13:45:13 +01:00
EnzoMonino d922666173 UG0T0 2022-02-08 11:57:15 +01:00
Pierre-Francois Loos 15a04fd253 merge with Clotilde 2022-02-07 10:48:46 +01:00
Pierre-Francois Loos 036c8bda26 merge with Clotilde 2022-02-07 10:48:22 +01:00
Clotilde Marut 7c092f6f6a Merge branch 'master' of github.com:pfloos/quack 2022-02-07 10:47:34 +01:00
Clotilde Marut 8c7b8213fc add CC-B88 2022-02-07 10:47:15 +01:00
EnzoMonino 60e12c091a Merge branch 'master' of https://github.com/pfloos/QuAcK 2022-02-07 10:47:03 +01:00
EnzoMonino 2325131fb0 UG0T0 2022-02-07 10:46:43 +01:00
Clotilde Marut 82fd7c5fb4 merge with T2 2022-02-07 10:45:18 +01:00
Clotilde Marut 5b436558ed CC-B88 kappa in DD and many other things 2022-02-07 10:40:50 +01:00
Pierre-Francois Loos 21c1ceb975 fix ACFDT for Tmatrix 2022-02-03 10:05:58 +01:00
Pierre-Francois Loos 03f41ef20c level shift and proper guess 2022-02-02 15:06:51 +01:00
Pierre-Francois Loos a1e81ab7e5 clean BSE2 2022-02-01 11:42:31 +01:00
Pierre-Francois Loos eca248d34d remove print 2022-01-31 13:41:07 +01:00
Pierre-Francois Loos f7718c8ab1 clean linear response and static BSE2 kernel 2022-01-31 13:19:42 +01:00
EnzoMonino 23e520cea9 ppURPA cleaner 2022-01-29 13:51:06 +01:00
EnzoMonino 0924ce1b3d clean ppURPA 2022-01-29 11:47:35 +01:00
Pierre-Francois Loos df5345e570 spinorbital BSE@G0T0 2022-01-26 13:05:16 +01:00
Pierre-Francois Loos 0f7cde9766 fix bug in eDFT rcond not initialized 2022-01-24 10:29:27 +01:00
Pierre-Francois Loos 2fa1010fd9 fix bug linGF 2022-01-17 15:15:27 +01:00
Pierre-Francois Loos 0196fc3a4e fix bug in UHF 2022-01-17 15:12:45 +01:00