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mirror of https://github.com/pfloos/quack synced 2024-11-20 04:52:42 +01:00
Commit Graph

66 Commits

Author SHA1 Message Date
0be0d5d8c3 revive eDFT code 2020-03-14 23:00:44 +01:00
6b7ebf8158 clean up ACFDT 2020-03-13 10:25:20 +01:00
150b669953 check BSE 2020-03-13 09:49:08 +01:00
24a6cfab90 moar clean up 2020-03-13 09:18:18 +01:00
fc73914faa graphical GW 2020-03-12 15:04:16 +01:00
c8855d8aed more clean up 2020-03-11 17:55:42 +01:00
63e6be3b2c BSE clean up 2020-03-11 16:41:20 +01:00
08d97376f2 ppRPA orlando orthogonalization 2020-03-07 08:58:50 +01:00
c71ccda4df experimenting with QP_roots 2020-02-12 21:44:35 +01:00
b09cff2ff7 QP solutions 2020-02-12 12:25:24 +01:00
af17fb153f RPAx 2020-01-28 09:00:11 +01:00
395da84680 clean up 2020-01-25 15:49:09 +01:00
9e3c3f9c89 eta in linear response 2020-01-23 21:22:41 +01:00
31a159f47a examples 2020-01-17 17:35:40 +01:00
1d9eb104a6 clean up 2020-01-17 13:45:02 +01:00
e01a34d6ba RPAx AC vs Tr 2020-01-16 23:13:47 +01:00
8dfd69db80 exchange kernel 2020-01-16 21:39:00 +01:00
4f37593b5e bug fix 2020-01-15 09:52:37 +01:00
43a4ed34c2 looking for a bug 2020-01-14 22:56:20 +01:00
c2ac210e4c create BSE standalone routine 2020-01-14 21:27:34 +01:00
3ebcd29b19 GW AC 2020-01-14 16:36:11 +01:00
c6ec8f91e9 RPA and ACRPA 2020-01-13 23:08:03 +01:00
3246143355 Ec AC 2020-01-08 10:17:19 +01:00
1acf76b156 remove ERI copy in qsGW 2019-10-30 10:31:05 +01:00
72abe8a4f6 bug 2019-10-28 16:34:09 +01:00
fb4251e419 COHSEX done and debugged 2019-10-24 08:07:31 +02:00
8c2b2f5e86 spinorb Tmatrix 2019-10-23 08:22:36 +02:00
877f78f1a5 T-matrix in spinorbitals 2019-10-22 23:03:01 +02:00
c22278f497 singlet and triplet G0T0 2019-10-20 08:18:58 +02:00
8e07edaae0 G0T0 bug and clean up 2019-10-18 23:16:37 +02:00
6ca20e2ea3 T matrix *might* be working 2019-10-17 22:07:41 +02:00
3c848e9244 ppRPA done 2019-10-15 23:20:43 +02:00
0c6f1ee7d5 ppRPA done 2019-10-15 23:13:00 +02:00
6ca04d4b44 pp-RPA 2019-10-06 20:08:38 +02:00
883a07db16 huckel guess and ppRPA 2019-10-05 22:06:25 +02:00
bf43db038e done 2019-09-26 22:46:32 +02:00
d9efdc53bf stupid big in qsGW BSE 2019-09-26 21:36:46 +02:00
bc834c0466 scan diatomics 2019-09-23 18:36:55 +02:00
6b052421a8 script for scan 2019-09-22 22:22:52 +02:00
8dbd12ecac eta parameter 2019-09-22 21:15:53 +02:00
153fe069aa qsGW fix bug 2019-09-21 08:53:29 +02:00
b7475c58cf huckel guess 2019-09-20 22:28:01 +02:00
5ab11e50bb non-canonical CCSD 2019-09-11 14:47:18 +02:00
4d6e969a54 ECMD 2019-07-15 12:07:54 +02:00
2feb62101d GW correction 2019-07-09 23:09:32 +02:00
ba070b3484 GW correction 2019-07-09 17:25:21 +02:00
c477b848ac basis correction 2019-07-09 16:17:10 +02:00
b18613c763 TDHF Ec 2019-05-23 09:53:23 +02:00
bd44ad4ffb correcting bug in read_integrals 2019-05-08 08:59:26 +02:00
31e3707ce6 Sph 2019-04-02 22:58:24 +02:00