Thomas Applencourt 538dfff980 New Working (maybe?) makefile

2015-05-15 16:30:43 +02:00

..

ezfio_interface

New Working (maybe?) makefile

2015-05-15 16:30:43 +02:00

install

Move some file to be logic

2015-05-13 15:59:06 +02:00

module

New Working (maybe?) makefile

2015-05-15 16:30:43 +02:00

pseudo

Move do_pseudo

2015-05-11 15:50:39 +02:00

upgrade

Move upgrade script into upgrade folder

2015-04-30 14:20:08 +02:00

utility

Move some file to be logic

2015-05-13 15:59:06 +02:00

.gitignore

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

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

generate_h_apply.py

Merge branch 'master' of github.com:scemama/quantum_package

2015-05-04 19:24:25 +02:00

get_basis.sh

Suport pseudo in qp_create

2015-05-02 14:50:23 +02:00

make_binary.sh

Fixed static build with gfortran

2015-03-26 02:16:12 +01:00

perturbation.py

Accelerated Davidson

2014-05-17 14:20:55 +02:00

qp_bitmasks.py

Added qpackage run command

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

qp_include.sh

New Working (maybe?) makefile

2015-05-15 16:30:43 +02:00

qp_set_frozen_core.py

Better estimated PT2

2015-03-16 18:30:38 +01:00

save_current_mos.sh

Lots of cleaning in scripts and Makefiles

2015-03-26 00:33:45 +01:00