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mirror of https://github.com/pfloos/quack synced 2024-12-22 20:35:36 +01:00
Commit Graph

574 Commits

Author SHA1 Message Date
881220a97f fix DIIS in GW 2019-04-01 15:53:39 +02:00
d27591b14c IntPak read geom fixed 2019-03-31 22:28:04 +02:00
599182f5e5 UHF is working 2019-03-19 11:21:34 +01:00
fdba3ff0ee cleanup 2019-03-19 10:13:18 +01:00
6b594c3585 clean up 2019-03-19 09:49:38 +01:00
60269ea3ce UHF code 2019-03-19 09:30:14 +01:00
cf996baa88 dft 2019-03-17 15:38:39 +01:00
45bdb1354b GW fixed 2019-03-17 12:33:09 +01:00
154b395af2 MP3 is working 2019-03-17 10:27:06 +01:00
60ffffcb6b options for CC 2019-03-16 22:40:54 +01:00
c4578a902e CCSD(T) is working 2019-03-16 21:41:03 +01:00
bc8d86eeaa CCSD is working 2019-03-16 21:16:19 +01:00
b41fbba515 CCD is working 2019-03-16 14:09:42 +01:00
99acd24d99 CCSD(T) coded up 2019-03-16 09:06:00 +01:00
12d5e8ffd3 CCSD under progress 2019-03-15 23:18:41 +01:00
9053823050 CCSD under progress 2019-03-15 21:47:34 +01:00
51920c0ada CCD coded 2019-03-15 09:58:53 +01:00
3059085d57 MCQC under serious work 2019-03-13 16:15:53 +01:00
355e5026d9 AOtoMO OOOOOO 2019-03-13 15:02:16 +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
e87ac4a88e cleanup done 2019-03-13 10:14:03 +01:00
86964672d7 inital commit for quack 2019-02-07 22:49:12 +01:00