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mirror of https://github.com/LCPQ/quantum_package synced 2024-11-14 10:03:51 +01:00
Commit Graph

10 Commits

Author SHA1 Message Date
e3114aa566 Added dummy selection 2016-09-28 21:14:35 +02:00
67fd40626d Merge branch 'master' of https://github.com/scemama/quantum_package
Conflicts:
	config/ifort.cfg
	plugins/FOBOCI/H_apply_dressed_autonom.irp.f
2016-05-13 10:25:50 +02:00
27b7c34106 MRCC+PT2 2016-04-01 23:33:58 +02:00
Emmanuel Giner
ac8e530372 FOBO-SCF executable works 2016-03-11 23:27:39 +01:00
e4b86d9e2b Fixed MP2 and MP2 wf 2016-01-02 21:45:28 +01:00
9c94916ad1 Print error in configure for travis 2015-12-11 15:09:19 +01:00
53ba951186 Added canonical orthogonalization and accelerated Tasks 2015-12-09 18:53:38 +01:00
3d7687e3c3 Accelerated diagonal element calculations in PT2 2015-11-24 17:01:09 +01:00
6cf3dcca0b Extended template for pt2 2015-11-24 11:40:49 +01:00
2a5cb23fd9 Added template for pt2_equations 2015-11-24 11:16:14 +01:00