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Commit Graph

20 Commits

Author SHA1 Message Date
1311fd72bd Changes for OCaml zmq-5.0 2018-05-09 11:31:32 +02:00
f3501a2eda Added qp_find_pi_space.ml 2017-09-19 18:59:32 +02:00
c44a660a97 Fixed pseudo in gamess file 2017-07-24 16:26:01 +02:00
14158742bf Review 2017-06-19 09:42:52 +02:00
20e7a23ef7 Fixed pseudos 2017-05-24 15:24:51 +02:00
Anthony Scemama
a2750bb55c Revert "merge with main branch" 2017-04-20 08:48:06 +02:00
Emmanuel Giner
03c50ebd2f merged with toto 2017-04-13 16:27:08 +02:00
51cff0d890 Truncate wave function with -ndet flag of qp_edit 2017-04-12 13:15:44 +02:00
4715857b07 Pseudo is read from resultsFile 2017-04-11 16:47:16 +02:00
Thomas Applencourt
6185049a20 Merge branch 'master' into master 2017-01-19 16:10:32 -06:00
Thomas Applencourt
16f43222f2 Update qp_convert_output_to_ezfio.py 2016-11-17 10:47:43 -06:00
Thomas Applencourt
2dc3eea92b Update qp_convert_output_to_ezfio.py 2016-11-17 10:32:36 -06:00
TApplencourt
90418ec728 Working pseudo 2016-11-08 15:29:35 -06:00
TApplencourt
be6cef694c Add pseudo to qp_convert 2016-11-08 11:40:55 -06:00
Thomas Applencourt
e6e78a521c installation zlib OK 2015-06-08 20:46:36 +02:00
Thomas Applencourt
e0f360084e QPACKAGE_ROOT => QP_ROOT =D 2015-06-08 14:49:10 +02:00
e438d8582b Removed Output module 2015-05-11 19:41:56 +02:00
Thomas Applencourt
e5096621f2 Fix set_pseudo_integrals_do_pseudo = False in test 2015-05-02 13:29:57 +02:00
Thomas Applencourt
185616f7e3 Add capitzalise to EZFIO_convert_output for consitenciy 2015-04-28 14:03:44 +02:00
Thomas Applencourt
374c2c003c Rename qp_convert and major cleaning in it 2015-04-16 10:59:45 +02:00