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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-11-04 21:23:56 +01:00
QuantumPackage/scripts
Kevin Gasperich f2b81c8f97 save determinants directory when save_wavefunction_general_complex is called
added option to turn this on or off
determinants/backup_determinants_dir (default True)

tars the determinants directory and moves the tar to ezfio/save/determinants/determinants.nstate.ndet.tar
gzip doesn't save any significant space (the large parts are already gzipped)

saves one backup per nstate,ndet pair
2021-05-27 12:33:08 -05:00
..
compilation First python3 3 working installation 2020-03-17 18:02:29 +01:00
ezfio_interface Fixing converter for qmcpack and qp2 with pbc and excited states 2020-10-19 13:50:40 -05:00
functionals/do_not_touch_func Develop (#10) 2019-02-22 19:19:58 +01:00
module First python3 3 working installation 2020-03-17 18:02:29 +01:00
utility Better regexp fon non-ascii files 2020-03-31 19:02:03 +02:00
.gitignore Initial commit 2019-01-25 11:39:31 +01:00
generate_h_apply.py complex cis and cisd 2020-07-01 13:20:35 -05:00
hello.py First python3 3 working installation 2020-03-17 18:02:29 +01:00
perturbation.py First python3 3 working installation 2020-03-17 18:02:29 +01:00
remove_trailing_spaces Initial commit 2019-01-25 11:39:31 +01:00
save_current_dets.sh save determinants directory when save_wavefunction_general_complex is called 2021-05-27 12:33:08 -05:00
save_current_mos.sh Initial commit 2019-01-25 11:39:31 +01:00