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mirror of https://github.com/LCPQ/quantum_package synced 2024-11-14 01:53:55 +01:00
Commit Graph

1628 Commits

Author SHA1 Message Date
ff391db161 mmap seems OK 2016-06-16 12:47:08 +02:00
Yann Garniron
d55b0a0b5e lambda using matrix products 2016-06-16 11:58:59 +02:00
7c523340a2 Merge branch 'master' into develop 2016-06-16 00:14:14 +02:00
149c69b161 Bug in diagonalize CI 2016-06-16 00:14:02 +02:00
ac40124ac6 Move mmap.f90 2016-06-15 14:23:19 +02:00
Yann Garniron
79cbe7b7f1 slow but working experimental lambda 2016-06-15 10:07:00 +02:00
Yann Garniron
8be7b96633 experimental lambda mrcc 2016-06-14 15:26:50 +02:00
Yann Garniron
5db286b027 experimental lambda 2016-06-14 14:37:46 +02:00
39366f7ec1 mmap works for integrals 2016-06-14 13:59:05 +02:00
Yann Garniron
9b23430872 reactivated microlists 2016-06-14 09:22:32 +02:00
20ad57e8c6 Merge branch 'master' into develop 2016-06-13 10:29:49 +02:00
6dbbd976cf Dressed dmc 2016-06-13 10:29:47 +02:00
Anthony Scemama
1bb1575da2 Merge pull request #167 from scemama/master
OpenMP Bug corrected
2016-06-06 23:30:11 +02:00
5502f94503 Allocatable minilist 2016-06-06 15:40:14 +02:00
28cac78c05 Removed critical regions 2016-06-06 11:23:04 +02:00
fae75d92cb Merge branch 'master' into develop 2016-06-06 10:57:56 +02:00
eb827f1f5d Merge branch 'develop' of github.com:scemama/quantum_package into develop 2016-06-06 10:57:49 +02:00
f00f11830e Upgraded ZeroMQ 2016-06-06 10:56:28 +02:00
ab67babe36 Upgraded ZMQ 2016-06-06 10:51:57 +02:00
f6369660bd Removed lck 2016-06-06 10:36:23 +02:00
249325b911 OMP PARALLEL BUG 2016-06-06 10:25:19 +02:00
85dfee525b OMP PARALLEL BUG 2016-06-06 10:15:59 +02:00
ac3f5f9893 Updated to zeromq 4.1.4 2016-06-06 10:12:20 +02:00
c551af4de6 Merge branch 'master' of github.com:scemama/quantum_package 2016-06-06 09:32:44 +02:00
16ac743aac OpenMP lock bug 2016-06-06 09:31:51 +02:00
Yann GARNIRON
d296285946 changes in lambda 2016-06-03 16:45:11 +02:00
61daec6ee6 Removed all libint stuff 2016-06-03 11:12:41 +02:00
Yann Garniron
acc8a8bb7e dirty - corrected mrcepa/mrcc final PT2 2016-06-02 12:47:35 +02:00
caa3e3f6a6 Added nuclear repulsion 2016-05-30 01:37:08 +02:00
3eaec55215 Forgot file 2016-05-30 00:42:39 +02:00
3781ca757e Introduces full_ci_dressed 2016-05-30 00:29:37 +02:00
fbd2b11fc9 Introduce PT2 by generator in ZMQ 2016-05-29 23:24:18 +02:00
e2f4857b83 Fetch i_generator from ZMQ 2016-05-29 22:38:06 +02:00
Yann GARNIRON
42dc213725 corrected mrcc for lage systems 2016-05-27 14:48:27 +02:00
Yann GARNIRON
39618c4300 corrected mrsc2 for large systems 2016-05-26 13:52:48 +02:00
3f2f870281 ZMQ socket options 2016-05-26 12:12:43 +02:00
Yann Garniron
c7c3e9d64b corrected OMP 2016-05-20 12:28:20 +02:00
Yann Garniron
f8ece7d40b added OMP - excitations as integer2 2016-05-20 11:27:39 +02:00
Yann Garniron
33bd506328 working mrcc 2016-05-20 09:44:22 +02:00
Yann Garniron
55138005a0 mrcc 2nd version - not working 2016-05-13 19:28:50 +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
7b1a5efb88 Corrected SVD 1x1 bug 2016-05-11 21:59:21 +02:00
9bbf5b398a Repaired tests 2016-05-10 23:26:38 +02:00
08e557dac4 Repaired ZMQ 2016-05-10 23:21:38 +02:00
330de7b32f H with pseudo doesnt segfault 2016-05-10 18:38:54 +02:00
Yann Garniron
a19543f6c7 alpha = triple-quadruple 2016-05-04 18:23:05 +02:00
Yann Garniron
d019657001 extra thread for collector 2016-05-04 17:30:55 +02:00
078ee95e12 Bug in ei_handler 2016-05-04 16:14:59 +02:00
Yann Garniron
682d2b8f1e fixed phases - no more isInCassd 2016-05-03 17:55:41 +02:00
garniron
6682cfad2d Merge pull request #13 from scemama/master
merge with scemama
2016-05-03 13:11:11 +02:00