Anthony Scemama adc95a3678 Merge branch 'master' of https://github.com/TApplencourt/quantum_package into TApplencourt-master ...

Conflicts:
	install/scripts/install_ocaml.sh
	testing_no_regression/unit_test.py

2016-01-04 10:18:09 +01:00

..

compilation

Merge branch 'master' of https://github.com/TApplencourt/quantum_package into TApplencourt-master

2016-01-04 10:18:09 +01:00

ezfio_interface

Spelling in comments

2015-07-25 00:18:19 +02:00

module

Fix travis

2015-12-14 08:14:06 +01:00

pseudo

Option to add automatically dummy basis functions

2015-11-17 22:25:26 +01:00

utility

Removed git --local in is_master_repository.py

2015-11-13 09:36:04 +01:00

.gitignore

Remove check_dependencies.sh, is no handle by module_handler.py

2015-05-04 15:53:42 +02:00

generate_h_apply.py

Accelerated diagonal element calculations in PT2

2015-11-24 17:01:09 +01:00

get_basis.sh

Corrected bug with multiple basis sets

2015-11-22 15:18:51 +01:00

make_binary.sh

QPACKAGE_ROOT => QP_ROOT =D

2015-06-08 14:49:10 +02:00

perturbation.py

QPACKAGE_ROOT => QP_ROOT =D

2015-06-08 14:49:10 +02:00

qp_bitmasks.py

Added qpackage run command

2014-06-27 01:26:46 +02:00

qp_set_frozen_core.py

Accelerated S^2

2015-07-14 01:06:28 +02:00

save_current_mos.sh

Error in bash scripts

2015-09-22 09:08:26 +02:00