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

255 Commits

Author SHA1 Message Date
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 93564f350d ppBSE@G0W0 2022-08-17 14:32:14 +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 a878fc6e3b UG0T0 2022-02-16 21:27:35 +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 2325131fb0 UG0T0 2022-02-07 10:46:43 +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 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 0196fc3a4e fix bug in UHF 2022-01-17 15:12:45 +01:00
Pierre-Francois Loos 16431bcd33 ufG0W0 2022-01-17 08:02:11 +01:00
Pierre-Francois Loos 96e4f15aeb B part of dBSE@GT 2022-01-12 09:17:39 +01:00
Pierre-Francois Loos fc0f9bb5f0 dynamic BSE@GT 2022-01-11 15:23:43 +01:00
Pierre-Francois Loos d790d95c4d fix bugs in print in UKS 2022-01-08 13:59:45 +01:00
Pierre-Francois Loos 41d160d1d6 fix sign in GM@GT 2022-01-07 15:14:00 +01:00
Pierre-Francois Loos 909777c458 rename routine in HF 2022-01-07 09:56:30 +01:00
Pierre-Francois Loos 0cdf014817 fix bug GM@GT 2022-01-07 09:37:11 +01:00
Pierre-Francois Loos 16066f96d8 rename routines in eDFT 2022-01-07 09:13:38 +01:00
Pierre-Francois Loos c21864c34c regularized self-energy in qsGW and evGW 2022-01-06 22:02:10 +01:00
Pierre-Francois Loos 3d4ef5bece fix bug in GF 2022-01-06 21:41:12 +01:00
Pierre-Francois Loos e1f67c94d4 GM in GT 2022-01-06 13:48:15 +01:00
Pierre-Francois Loos 310f4ab132 problem print HOMO/LUMO 2022-01-06 10:23:48 +01:00
Pierre-Francois Loos 3ecf94bbc9 debugging BSE@GT 2022-01-05 12:46:59 +01:00
Pierre-Francois Loos f6270a0ba5 CID and CISD 2022-01-04 11:39:33 +01:00
Pierre-Francois Loos 3cf1159cf0 unrestricted boolean in QuAcK 2022-01-02 17:14:10 +01:00
EnzoMonino d6ee3863da ppURPA 2021-12-31 12:49:13 +01:00
Pierre-Francois Loos 2a5d6892b8 BSE@GT potentially correct 2021-12-21 13:49:41 +01:00
Pierre-Francois Loos 02f7a03385 regularized GF2 2021-12-17 13:36:26 +01:00
Pierre-Francois Loos 203ce9541c regularized GW 2021-12-17 11:41:40 +01:00
Pierre-Francois Loos d24b729fc3 regularized GW 2021-12-16 15:19:44 +01:00
Pierre-Francois Loos 50d22777e9 regularized MP2 2021-12-16 14:25:09 +01:00
Pierre-Francois Loos e006fb5a01 regularized MP2 2021-12-16 14:24:02 +01:00