Anthony Scemama 1f8e09e93f FIxed GAMESS interface

2018-07-03 14:46:02 +02:00

..

compilation

Python2

2018-05-15 11:06:16 +02:00

ezfio_interface

FIxed GAMESS interface

2018-07-03 14:46:02 +02:00

module

Python2

2018-05-15 11:06:16 +02:00

pseudo

python2

2018-04-30 18:43:32 +02:00

utility

python2

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.gitignore

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

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

entanglement.py

python2

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generate_h_apply.py

python2

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get_basis.sh

Some modif for the interface with qmcpack

2016-01-14 15:18:31 +01:00

make_binary.sh

QPACKAGE_ROOT => QP_ROOT =D

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

perturbation.py

python2

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qp_bitmasks.py

python2

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qp_set_frozen_core.py

Davidson N_states_diag incrementing

2018-05-30 13:46:48 +02:00

qp_upgrade_ocaml.sh

Fix for #227 (#228)

2018-01-22 02:45:17 +01:00

save_current_mos.sh

python2

2018-04-30 18:43:32 +02:00