LCPQ/quantum_package
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177 Commits 6 Branches 5 Tags 93 MiB
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11 Commits

Author SHA1 Message Date
Anthony Scemama
942b9339c6 Added ezfio_defaults in data 2014-07-29 14:23:33 +02:00
Manu
a282c8d4ae Wall_0 2014-07-16 14:03:05 +02:00
Manu
8bb8e1f7c2 CIS_DT cleaned, add Full_ci/parameters.irp.f 2014-07-12 12:20:53 +02:00
Manu
762fbd41cc parameters.irp.f 2014-07-09 22:44:42 +02:00
Manu
964a245737 add CIS full for starting with CIS wave function 2014-07-09 00:41:08 +02:00
Anthony Scemama
33e8f41268 Save wavefunction 2014-06-07 22:07:50 +02:00
Manu
61574b3fa0 CISD_SC2_selected works 2014-06-04 17:22:09 +02:00
Anthony Scemama
741cd36db2 Merge branch 'master' of github.com:LCPQ/quantum_package 
Conflicts:
	src/CISD/README.rst
	src/CISD/SC2.irp.f
	src/CISD/cisd.irp.f
	src/Dets/README.rst
	src/Dets/determinants.irp.f
	src/Dets/slater_rules.irp.f
	src/Perturbation/README.rst
 2014-05-24 03:29:35 +02:00
Manu
1ffbeb6167 add ASSUMPTION.rst 2014-05-22 11:24:36 +02:00
Manu
006e0affd0 added NEEDED_MODULES Makefile for the CIS_dressed 2014-05-22 11:23:45 +02:00
Manu
3b18250977 CIS(DT) works 2014-05-19 18:35:56 +02:00