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quantum_package/src/CAS_SD
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Thomas Applencourt 1abca0aa68 Trying to merge
2015-04-10 18:05:47 +02:00
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ASSUMPTIONS.rst CAS-SD and CAS-SD selected 2015-04-09 10:57:15 +02:00
cas_sd_selected.irp.f Lots of minor fixes 2015-04-09 21:46:28 +02:00
cas_sd.irp.f Lots of minor fixes 2015-04-09 21:46:28 +02:00
EZFIO.cfg Forgt EZFIO.cfg file 2015-04-10 00:45:09 +02:00
H_apply.irp.f CAS-SD and CAS-SD selected 2015-04-09 10:57:15 +02:00
Makefile CAS-SD and CAS-SD selected 2015-04-09 10:57:15 +02:00
NEEDED_MODULES Trying to merge 2015-04-10 18:05:47 +02:00
README.rst Lots of minor fixes 2015-04-09 21:46:28 +02:00

README.rst 

======================
CAS_SD_selected Module
======================

Selected CAS + SD module.

1) Set the different MO classes using the ``qp_set_mo_class`` command
2) Run the selected CAS+SD program