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qmcchem
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256 Commits 8 Branches 2 Tags 1.8 MiB
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256 Commits

Author SHA1 Message Date
Anthony Scemama 7088c263be Updates 2019-07-01 11:32:01 +02:00
Anthony Scemama cc0620ee32 Fixed zmq_ezfio 2018-09-12 09:34:51 +02:00
Anthony Scemama 3c0d404661 Fixed BeH with pseudos 2018-07-16 18:48:42 +02:00
Anthony Scemama 1e9b94374f Merge branch 'master' of github.com:scemama/qmcchem 2018-07-13 11:37:21 +02:00
Anthony Scemama 38933ba9c8 Fixed explosion of population for BeH 2018-07-13 11:36:50 +02:00
Anthony Scemama fe9209e7de Update on Olympe 2018-07-13 10:05:51 +02:00
Anthony Scemama f2fb5fec11 Downgraded dependencies 2018-07-09 19:57:05 +02:00
Anthony Scemama 87fed8350a Fixed OCaml 2018-07-09 19:21:59 +02:00
Anthony Scemama 1542964710 Merge branch 'master' of lpqlx139:qmcchem 2018-07-09 14:50:52 +02:00
Anthony Scemama eb98378e74 Modernized for zmq 4.2.5 and python2 2018-07-09 14:50:48 +02:00
Anthony Scemama 609e82f5cc Modernized for zmq 4.2.5 and python2 2018-07-09 14:40:45 +02:00
Anthony Scemama a07c4a98f2 ZMQ -> zmq 2018-06-04 10:26:49 +02:00
Anthony Scemama b9a69fa62d Missing files 2018-03-15 09:35:36 +01:00
Anthony Scemama 507c83b87b Modern OCaml 2018-03-14 17:02:52 +01:00
Anthony Scemama 06e68216fb Merge branch 'master' of github.com:scemama/qmcchem 2018-03-14 16:52:38 +01:00
Anthony Scemama 550c180cb4 Changes for Theta 2017-11-29 19:48:28 +01:00
Anthony Scemama 2e0370822d Merge branch 'master' of github.com:scemama/qmcchem 2017-11-09 15:08:19 +01:00
Anthony Scemama acde03a045 Works again for H 2017-11-09 14:57:51 +01:00
Anthony Scemama c10217157c Merge branch 'master' of github.com:scemama/qmcchem 2017-10-20 17:15:55 +02:00
Anthony Scemama 7883be32c1 Removed ZMQ unbind 2017-10-12 17:59:08 +02:00
Anthony Scemama 074bfc1705 Fixed duration of a block 2017-10-12 15:51:15 +02:00
Anthony Scemama cf003c3e08 DGEMV 2017-10-10 10:26:23 +02:00
Anthony Scemama 8f978d95c2 Update for OCaml 4.04 2017-10-10 09:39:58 +02:00
Anthony Scemama 9d186b3759 DGEMV for dense matrices 2017-10-09 21:39:00 +02:00
Anthony Scemama da03903782 Merge branch 'master' of github.com:scemama/qmcchem 2017-10-09 19:59:13 +02:00
Anthony Scemama 0e2ee815f6 Unused variable 2017-09-05 17:39:11 +02:00
Anthony Scemama a89daa602b Added header to inverse 2017-07-18 18:08:34 +02:00
Anthony Scemama fed153e513 New IRPF90 2017-06-14 01:11:26 +02:00
Anthony Scemama b3ca85eb2d Merge branch 'master' of github.com:scemama/qmcchem 2017-03-26 21:37:20 +02:00
Anthony Scemama d783b19cc8 ZMQ versio update 2017-03-26 21:36:23 +02:00
Anthony Scemama c59606bb36 Removed useless property 2016-12-29 01:48:59 +01:00
Anthony Scemama a1192beb8b Promela model 2016-12-29 01:43:34 +01:00
Anthony Scemama cd0ac76bae Merge branch 'master' into develop 
Conflicts:
	src/SAMPLING/pdmc_step.irp.f
 2016-12-28 17:00:15 +01:00
Anthony Scemama bb4b75e86b Fixed Bug when block is too long 2016-12-28 16:57:53 +01:00
Anthony Scemama 4c42654401 Cleaned PDMC 2016-11-28 19:45:09 +01:00
Anthony Scemama dc187bea73 Merge branch 'feature/zveloc' into develop 2016-11-28 15:08:59 +01:00
Anthony Scemama dcf19db6d6 Commented prefetch instructions 2016-11-28 15:08:55 +01:00
Anthony Scemama b577984de6 Updated ZMQ 2016-10-03 00:34:42 +02:00
Anthony Scemama 7806f6df53 Merge branch 'master' of github.com:scemama/qmcchem 2016-07-28 13:11:13 +02:00
Anthony Scemama 8733aa742e Removed check of Jastrow and pseudo 2016-07-25 13:52:49 +02:00
Anthony Scemama d71c80afca Added D and F spherical harmonics in pseudo 2016-07-21 16:06:40 +02:00
Anthony Scemama f5c4500770 Merge branch 'develop' into feature/zveloc 
Conflicts:
	src/PROPERTIES/properties_general.irp.f
 2016-07-01 21:57:42 +02:00
Anthony Scemama 619db89adc Conflicts: 
src/PROPERTIES/properties_general.irp.f
 2016-07-01 21:56:15 +02:00
Anthony Scemama 7b9dbb84c1 Merge branch 'master' of github.com:scemama/qmcchem 2016-06-24 23:23:32 +02:00
Anthony Scemama fa84ab6fa2 Bugs in SRMC corrected 2016-06-24 09:28:06 +02:00
Anthony Scemama 59d0186209 Optimizations and better time step error 2016-06-24 09:18:50 +02:00
Anthony Scemama 314f0609ac Merge branch 'develop' into feature/zveloc 2016-06-24 09:14:33 +02:00
Anthony Scemama ec1b794893 Better time step error 2016-06-24 09:14:18 +02:00
Anthony Scemama 1a001e620b Better time step error in SRMC 2016-06-24 09:11:37 +02:00
Anthony Scemama 3b101c0b8a Removed useless things from EZFIO 2016-06-22 23:18:21 +02:00