LCPQ/quantum_package
10
0
Fork 0
mirror of https://github.com/LCPQ/quantum_package synced 2024-06-26 15:12:14 +02:00
Code Issues Releases Wiki Activity
1,906 Commits 6 Branches 5 Tags 93 MiB
dd981ed4e9
Commit Graph

13 Commits

Author SHA1 Message Date
Emmanuel Giner
a72b890b92 debugging FOBOCI 2017-03-16 21:21:27 +01:00
Emmanuel Giner
4e0c71df10 density based mrpt2 2017-02-06 21:28:01 +01:00
Emmanuel Giner
de209b3fa8 pouet 2017-02-03 11:51:22 +01:00
Emmanuel Giner
eda249e631 final version of MRPT, at least I hope 2016-12-05 15:10:53 +01:00
Emmanuel Giner
a946fc615b Beginning to merge MRCC and MRPT 2016-11-29 16:48:24 +01:00
Emmanuel Giner
38ccfc0cf1 Trying do really fo sin free multiple excitations 2016-11-28 14:51:12 +01:00
Emmanuel Giner
8c6bb03a23 Fixed the perturbation with psi_ref instead of psi_det 2016-11-25 23:07:45 +01:00
Anthony Scemama
b97ca19a8c Made MRPT_Utils a core module 2016-11-11 23:12:48 +01:00
Emmanuel Giner
82a29d5603 no vvv integrals is ok 2016-10-11 19:03:23 +02:00
Emmanuel Giner
d5a76190ca Good Dyall Hamiltonian 2016-09-07 14:49:52 +02:00
Emmanuel Giner
dbf894a99a mrpt new with multi state version 2016-09-01 17:43:33 +02:00
Emmanuel Giner
0075d01bd9 New perturbation theory is working 2016-08-26 18:00:49 +02:00
Emmanuel Giner
78254c68c9 Formally finished to code the MRPT_Utils 2016-08-24 16:43:01 +02:00