LCPQ/quantum_package
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2,803 Commits 6 Branches 5 Tags 93 MiB
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18 Commits

Author SHA1 Message Date
Anthony Scemama
9fd2a7ef39 Merge branch 'alpha_factory' of https://github.com/garniron/quantum_package into garniron-alpha_factory 
Conflicts:
	plugins/dress_zmq/alpha_factory.irp.f
	plugins/dress_zmq/dress_stoch_routines.irp.f
	plugins/mrcepa0/mrcc_stoch_routines.irp.f
 2018-03-05 17:26:43 +01:00
Anthony Scemama
8f6e7f4a40 Added Bk module 2018-03-05 17:04:26 +01:00
Yann Garniron
1a0f36dfa5 init shiftedbk 2018-03-02 15:29:58 +01:00
Yann Garniron
22b2870b9f corrected assert(N_states>1) 2018-03-01 11:35:00 +01:00
Anthony Scemama
ebf96776dd Fixed Travis 2018-02-27 19:13:31 +01:00
Yann Garniron
bd767bbb36 i_h_j_s2 - optimization in mrcc_sto 2018-02-26 11:33:32 +01:00
Yann Garniron
4ddeb5c2e5 minilist indices in psi_det 2018-02-23 14:02:51 +01:00
Yann Garniron
bd1aefc567 det_minilist 2018-02-22 15:29:20 +01:00
Yann Garniron
381c985999 mrcc_sto bug for multistate 2018-02-22 14:05:45 +01:00
Yann Garniron
b177ee3f51 missing files + small optimisation 2018-02-22 13:41:11 +01:00
Yann Garniron
ea99cc29b3 working and less slow mrcc_sto 2018-02-20 17:34:51 +01:00
Yann Garniron
5150497318 working but super slow mrcc_sto 2018-02-20 15:51:53 +01:00
Yann Garniron
10ffd8f789 non-working mrcc_sto 2018-02-19 17:15:59 +01:00
Yann Garniron
95a1cddf43 commented out computation of excitations 2018-02-16 11:50:49 +01:00
Yann Garniron
5bd59241fa removed duplicate determinants - questionable efficiency 2018-02-15 14:07:20 +01:00
Yann Garniron
a828a1c5c8 PQ leaves in alpha_factory - with duplicate determinants 2018-02-15 13:42:55 +01:00
Yann Garniron
9e317da0cb init alpha_factory - mrcc_sto working countdown 2018-02-14 15:21:08 +01:00
Yann Garniron
eacc63624c minilisted dress_zmq - mrcc_sto as unittest 2018-02-14 10:33:11 +01:00