10
0
mirror of https://github.com/LCPQ/quantum_package synced 2024-06-22 13:12:16 +02:00
Commit Graph

19 Commits

Author SHA1 Message Date
Thomas Applencourt
69c872333b >50% acceleration of int.f90 2015-05-05 15:25:15 +02:00
Thomas Applencourt
a8eaf1cfb4 Add indent 2015-05-05 14:22:38 +02:00
Thomas Applencourt
db8f905b98 Integration with the new code 2015-05-05 13:39:11 +02:00
Thomas Applencourt
ec26b457b3 Change SO2 for HBO in unitest (test need to be fast) 2015-05-05 10:33:22 +02:00
Thomas Applencourt
ad3d6317b2 Add Pseudo Unit Test for SO2 2015-05-05 10:28:04 +02:00
3b30e4fa4a Fixed PATH error 2015-05-04 19:44:09 +02:00
Thomas Applencourt
e5096621f2 Fix set_pseudo_integrals_do_pseudo = False in test 2015-05-02 13:29:57 +02:00
Thomas Applencourt
d71be0bb7c Add qp_convert_from_output to test 2015-04-16 11:34:26 +02:00
Thomas Applencourt
780b0276ee Amelioration of unit test 2015-04-01 14:56:52 +02:00
Thomas Applencourt
88db8c9ae6 Add new type Disk_access (Read Write None) 2015-04-01 14:14:01 +02:00
Thomas Applencourt
00be8bc06a precision for unit test set to 5.e-8 2015-03-31 13:41:20 +02:00
Thomas Applencourt
0a8d393dbc BiInt => Bielec_integrals 2015-03-31 10:51:11 +02:00
Thomas Applencourt
c484b9cf93 Set parameter in unit_test.py 2015-03-30 11:57:42 +02:00
Thomas Applencourt
757b785f30 Fix unit_test 2015-03-30 11:47:56 +02:00
Thomas Applencourt
125e7d4c8f Add doc and global varialbe in unit_test 2015-03-30 10:37:11 +02:00
Thomas Applencourt
aa7bfdc46d Beter unit test 2015-03-30 10:15:35 +02:00
Thomas Applencourt
d9e6c9f708 First try of unit test 2015-03-27 19:04:08 +01:00
Manu
c6cc9716fb add Ethylen_input_gamess.zip 2015-03-23 11:20:43 +01:00
Manu
31dc7cc641 add create_excitations.irp.f 2015-03-18 11:38:55 +01:00