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mirror of https://github.com/pfloos/quack synced 2024-06-26 15:12:17 +02:00
Commit Graph

39 Commits

Author SHA1 Message Date
a61fd351f9 fix option mismatch 2020-06-17 22:10:08 +02:00
69e8bdd49c new options for dBSE 2020-06-14 21:20:01 +02:00
f7e90a9f99 spin in W 2020-06-14 13:04:16 +02:00
b6bbeb3f3b fix bug in BSE triplet 2020-06-09 21:24:37 +02:00
29294ef5a4 BSE almost done 2020-06-01 22:01:21 +02:00
2b0244e010 RS in GW 2020-04-16 17:02:01 +02:00
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
fc73914faa graphical GW 2020-03-12 15:04:16 +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
9e3c3f9c89 eta in linear response 2020-01-23 21:22:41 +01:00
1d9eb104a6 clean up 2020-01-17 13:45:02 +01:00
8dfd69db80 exchange kernel 2020-01-16 21:39:00 +01:00
4607acc649 clean up 2020-01-15 22:29:43 +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
d84cff37b2 rename TDHF and co 2020-01-14 19:53:52 +01:00
3ebcd29b19 GW AC 2020-01-14 16:36:11 +01:00
51016fd5c1 clean up + AC 2020-01-14 14:44:01 +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
72abe8a4f6 bug 2019-10-28 16:34:09 +01:00
fb4251e419 COHSEX done and debugged 2019-10-24 08:07:31 +02:00
55f7bffd76 fix bug in evGW for BSE Ec 2019-10-01 14:53:36 +02:00
ff82232fe5 fix bug in printing qsGW energy after BSE 2019-09-23 13:31:01 +02:00
8dbd12ecac eta parameter 2019-09-22 21:15:53 +02:00
9793c23357 COHSEX print 2019-07-15 14:22:32 +02:00
b18613c763 TDHF Ec 2019-05-23 09:53:23 +02:00
ce7d0118ab sph ready 2019-05-07 22:55:36 +02:00
f345b8e2be BSE Ec 2019-05-04 17:13:50 +02:00
31e3707ce6 Sph 2019-04-02 22:58:24 +02:00
8ad895ad85 cleanup excitation_energy 2019-04-02 09:59:30 +02:00
8a8e4a939c excitation energy 2019-04-01 16:32:55 +02:00
881220a97f fix DIIS in GW 2019-04-01 15:53:39 +02:00
4c821fe4ac cleanup 2019-03-19 10:13:33 +01:00