LCPQ/quantum_package
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1,194 Commits 6 Branches 5 Tags 93 MiB
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22 Commits

Author SHA1 Message Date
Anthony Scemama
989b087f59 Merge lpqsv26:/home/caffarel/quantum_package 2015-12-04 20:08:25 +01:00
caffarel
df6ca0ee05 Downgraded ZeroMQ to 4.0.7 2015-12-04 20:02:35 +01:00
Anthony Scemama
199d7ae0d8 Save wavefunction in CISD 2015-12-01 23:07:29 +01:00
Anthony Scemama
2ea2bf2e36 Save wavefunction in CISD 2015-12-01 23:06:52 +01:00
Anthony Scemama
1d58caea77 Corrected bug in CISD selected 2015-11-30 14:54:37 +01:00
Anthony Scemama
60a13efccd Shells in README 2015-11-08 21:37:50 +01:00
Anthony Scemama
696dcafed8 Update readme 2015-11-08 21:02:55 +01:00
Anthony Scemama
8b8946f1e3 OpenMP reduction bug for large systems solved 2015-09-22 13:05:42 +02:00
Anthony Scemama
6476d432be Added EZFIO.cfg for CISD 2015-09-22 09:47:07 +02:00
Anthony Scemama
c910257927 Tests OK again. 2015-09-19 02:00:26 +02:00
Anthony Scemama
f52e877f7c CISD save energy 2015-09-11 15:30:44 +02:00
Anthony Scemama
2d493fe9c0 MRCC Manu 2015-09-08 15:29:05 +02:00
Anthony Scemama
01699dd0c1 i_H_j_phase_out missing in previous commit 2015-07-28 18:57:43 +02:00
Anthony Scemama
8671e53615 Merge branch 'master' of https://github.com/eginer/quantum_package into eginer-master 
Conflicts:
	plugins/CISD/README.rst
	plugins/CISD_SC2_selected/README.rst
	plugins/CISD_selected/README.rst
	plugins/DDCI_selected/README.rst
	plugins/MRCC_CASSD/.gitignore
	src/Determinants/davidson.irp.f
	src/Determinants/slater_rules.irp.f
	src/Ezfio_files/README.rst
 2015-07-28 18:36:50 +02:00
Anthony Scemama
7e1dc45418 Minor changes 2015-07-28 16:58:41 +02:00
Manu
3e3c0567e1 MRCC is ok with selected excitation operators 2015-07-20 14:19:11 +02:00
Thomas Applencourt
99444757b1 Epic merge for the doc... 2015-07-16 15:44:51 +02:00
Thomas Applencourt
e195685c4b Going back to png 2015-07-16 14:25:20 +02:00
Thomas Applencourt
c7c9243c21 Fix README and graphiz 2015-07-16 10:40:57 +02:00
Manu
12e81de1c7 MRCC converges with tiny matrixes 2015-07-03 19:19:44 +02:00
Manu
ee81a80368 Beginning the merge with qp old 2015-06-29 10:35:29 +02:00
Thomas Applencourt
6a91e63cf3 Move into plugins 2015-06-17 18:23:56 +02:00