LCPQ/quantum_package
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663 Commits 6 Branches 5 Tags 93 MiB
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6 Commits

Author SHA1 Message Date
Anthony Scemama
ff86d51c5f Hartree-Fock works well 2014-06-25 14:58:58 +02:00
Anthony Scemama
f3fc0fdb8a Natural orbitals implemented 2014-06-20 18:35:26 +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
3b18250977 CIS(DT) works 2014-05-19 18:35:56 +02:00
Anthony Scemama
e1d2a79b3b Davidson multistates works in a very standard version 2014-05-14 22:36:59 +02:00
Anthony Scemama
3e7c65d858 Updated documentation 2014-05-14 00:01:31 +02:00