10
0
mirror of https://github.com/LCPQ/quantum_package synced 2024-11-05 05:33:56 +01:00
Commit Graph

13 Commits

Author SHA1 Message Date
b88a0eac78 Removed output variables 2018-01-05 14:38:32 +00:00
eed7cc8c14 Fixed 2017-09-13 09:06:32 +02:00
4e894dc393 Removed align 2017-06-27 20:41:54 +02:00
e15fbd2371 Almost working 2017-06-02 14:56:34 +02:00
4b56ae9a3f Merge branch 'LCPQ-master' 2016-07-06 11:30:47 +02:00
2d0c39edc9 Avoid NaN 2016-06-20 17:09:39 +02:00
Emmanuel Giner
f030c4b6fe Merged with LCPQ 2016-03-14 16:12:25 +01:00
Emmanuel Giner
ac8e530372 FOBO-SCF executable works 2016-03-11 23:27:39 +01:00
20a857c446 Distributed PT2 2016-02-19 00:20:28 +01:00
61bcd8c103 Eigenvalues are now printed with the correct sign 2015-11-26 15:00:02 +01:00
e033596481 Corrected Hartree-Fock MOs when not converged 2015-11-13 10:51:03 +01:00
dc3cfb9dbd English 2015-10-06 15:33:11 +02:00
Thomas Applencourt
6a91e63cf3 Move into plugins 2015-06-17 18:23:56 +02:00