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
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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