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mirror of https://github.com/LCPQ/quantum_package synced 2024-11-19 20:42:41 +01:00
Commit Graph

15 Commits

Author SHA1 Message Date
4cb4d5e416 Working on Slater dressing 2017-06-08 22:15:42 +02:00
ab626735de Valgrind OK with dsyevr 2017-06-07 23:31:41 +02:00
c23ca86017 Introduced DSYEVR 2017-06-07 23:05:00 +02:00
df92bd52e4 Fixing travis 2017-06-07 21:56:46 +02:00
c49720fdae Trying to fix travis 2017-06-06 00:51:40 +02:00
b2e978c170 Trying to fox travis 2017-06-06 00:39:35 +02:00
d54d64ded8 Trying to fix travis 2017-06-06 00:26:47 +02:00
94828d8fb8 Removed dsyevd 2017-06-03 01:23:59 +02:00
7bd75d687b Safer dsyevd 2017-06-03 00:45:44 +02:00
Emmanuel Giner
27a121bc1b added print_hcc and OVB plugin 2016-02-17 10:52:57 +01:00
824c539800 Level shift was misplaced 2016-01-18 23:11:55 +01:00
e4b86d9e2b Fixed MP2 and MP2 wf 2016-01-02 21:45:28 +01:00
dd78dd4324 Hartree-Fock with less MOs than AOs OK 2015-11-27 19:14:36 +01:00
f04e6619a5 Memory allocation bug in Huckel guess corrected 2015-09-22 13:35:42 +02:00
Thomas Applencourt
6a91e63cf3 Move into plugins 2015-06-17 18:23:56 +02:00