10
0
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-11-12 17:13:49 +01:00
Commit Graph

11 Commits

Author SHA1 Message Date
Emmanuel Giner
32030bc9c6 added doc for prim_in_r 2020-04-24 16:14:59 +02:00
Emmanuel Giner
792c685df3 added prim_in_r 2020-04-24 16:12:25 +02:00
15ab29206c Fixed type conversions 2019-12-03 00:15:01 +01:00
eb3a8a679c Working on periodic 2019-12-02 19:25:35 +01:00
fe56579ae4 Safe lapack calls with int32 2019-11-21 09:56:30 +01:00
0f8ea82d68 Don't recompute 1st Davidson iteration 2019-11-18 15:56:26 +01:00
Emmanuel Giner LCT
9ba571a910 removed generators bitmaks, and casscf with not continuous orbital windows is working 2019-10-24 19:02:42 +02:00
edd2276b75 Fixed usleep 2019-07-09 17:33:44 +02:00
1120d572fa Cleaning allocation of string 2019-07-09 17:18:05 +02:00
3763767f77 Fix bug with deterministic PT2 2019-07-09 13:40:06 +02:00
24d9745056 Initial commit 2019-01-25 11:39:31 +01:00