Thomas Applencourt 0199fc1374 Add error message to only_children_to...

2015-05-04 14:44:30 +02:00

..

create

Move create script into create folder

2015-04-30 14:10:41 +02:00

ezfio_interface

Fix set_pseudo_integrals_do_pseudo = False in test

2015-05-02 13:29:57 +02:00

install

Move install script into install folder

2015-04-30 14:05:04 +02:00

module

Add error message to only_children_to...

2015-05-04 14:44:30 +02:00

pseudo

Suport pseudo in qp_create

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

upgrade

Move upgrade script into upgrade folder

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

.gitignore

Auto-update README.rst

2014-04-04 00:41:43 +02:00

build_modules.sh

Move create script into create folder

2015-04-30 14:10:41 +02:00

check_dependencies.sh

Add NEED_CHILDREN_MODULE to replace NEEDED_MODULES

2015-04-30 18:56:04 +02:00

clean_modules.sh

Add NEED_CHILDREN_MODULE to replace NEEDED_MODULES

2015-04-30 18:56:04 +02:00

ezfio_with_default.py

Remove WILL be DELETED and change ezfio_with_default in concequance

2015-04-20 09:11:12 +02:00

fetch_from_web.py

Removed wget requirement

2014-04-07 15:45:19 +02:00

follow_output.py

Added ocaml qp_run

2014-10-10 00:26:49 +02:00

generate_h_apply.py

Add EZFIO.cfg in determinants

2015-04-20 15:20:38 +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

Add NEED_CHILDREN_MODULE to replace NEEDED_MODULES

2015-04-30 18:56:04 +02:00

qp_set_frozen_core.py

Better estimated PT2

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

run_Makefile_common.sh

Put prepare_ezfio.sh in ezfio_interface/

2015-04-30 14:27:32 +02:00

run_Makefile_global.sh

Move upgrade script into upgrade folder

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

run_tests.py

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

2014-05-24 03:29:35 +02:00

save_current_mos.sh

Lots of cleaning in scripts and Makefiles

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

update_README.py

Add NEED_CHILDREN_MODULE to replace NEEDED_MODULES

2015-04-30 18:56:04 +02:00