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mirror of https://github.com/LCPQ/quantum_package synced 2024-12-22 20:35:19 +01:00
quantum_package/scripts
2015-06-03 10:19:02 +02:00
..
compilation Fix bug in replacent 'file' => 'f' 2015-06-03 10:19:02 +02:00
ezfio_interface Ninja work now /tmp/ninja/ninja -v -d explain build_all_binary! 2015-05-25 18:40:20 +02:00
install Add ninja instaler, First try travis 2015-05-26 10:42:21 +02:00
module Pep8 2015-06-02 18:40:24 +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 Fix cache_compile.py and ninja make all the binary 2015-05-28 12:03:14 +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