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mirror of https://github.com/pfloos/quack synced 2024-12-23 04:43:53 +01:00
Commit Graph

327 Commits

Author SHA1 Message Date
355e5026d9 AOtoMO OOOOOO 2019-03-13 15:02:16 +01:00
6f694db086 Fixing up xcDFT 2019-03-13 12:56:02 +01:00
1d5ea165b1 Fixing up xcDFT 2019-03-13 12:06:10 +01:00
247bc25db5 Fixing up MCQC 2019-03-13 12:04:46 +01:00
a3b5d63ca2 Fixing IntPak 2019-03-13 11:34:51 +01:00
f4329480ba merging quack with eDFT 2019-03-13 11:07:31 +01:00
7b1b833264 option file for integrals 2019-03-13 10:43:13 +01:00
2c5e48aa1a option file for integrals 2019-03-13 10:42:43 +01:00
9f4819bd25 GoInt 2019-03-13 10:17:20 +01:00
e87ac4a88e cleanup done 2019-03-13 10:14:03 +01:00
6f2d4153a9 o file GONE 2019-03-13 10:11:29 +01:00
e8922e1684 rrrr 2019-03-13 10:10:01 +01:00
b00b059dbb remove object files 2019-03-13 09:43:03 +01:00
arjanberger10
509d96d4bb bug fix excitation_density_from_MO.f90 2019-03-09 00:02:18 +01:00
arjanberger10
609615bd3a G0W0+SOSEX (to be tested) 2019-02-19 00:02:56 +01:00
arjanberger10
28ca539933 GM correlaction energy added and correction to COHSEX self-energy 2019-02-14 22:42:07 +01:00
53cfa3a04d adding Makefile + clean up 2019-02-14 21:19:17 +01:00
9906377635 clean up 2019-02-08 10:41:15 +01:00
baf1b605f7 clean up 2019-02-08 10:39:47 +01:00
712faef334 cleaning up 2019-02-07 22:59:11 +01:00
68a4590f69 cleaning up 2019-02-07 22:57:35 +01:00
17d07f773b remove xcDFT 2019-02-07 22:55:20 +01:00
f059f1374e
Update README.md 2019-02-07 22:55:24 +01:00
905a4821cd remove xcDFT 2019-02-07 22:54:43 +01:00
eb324ad53e
Update README.md 2019-02-07 22:52:06 +01:00
86964672d7 inital commit for quack 2019-02-07 22:49:12 +01:00
b484fce849
Initial commit 2019-02-07 22:44:17 +01:00