LCPQ
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quantum_package
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339 Commits

Author SHA1 Message Date
Anthony Scemama 91eb591572 Changes for OCaml zmq-5.0 2018-05-09 12:22:54 +02:00
Anthony Scemama 1311fd72bd Changes for OCaml zmq-5.0 2018-05-09 11:31:32 +02:00
Anthony Scemama 61e65babd3
Fix for #227 (#228) 
* Fixes #223

* Upgrade to OCaml 4.06 and Core 0.10

* Fixes #223 (#226) (#61)

* Fixed qp_edit
 2018-01-22 02:45:17 +01:00
Anthony Scemama 792288600d Minor changes 2018-01-05 15:31:08 +01:00
Anthony Scemama ee8d6db3c1 Correct end of line in basis file 2017-12-29 16:06:35 +01:00
Anthony Scemama 49d85cf27c State-average weights and Zsh fix 2017-12-21 22:59:27 +01:00
Anthony Scemama 28afcc8c59 Fixes #211 2017-12-19 09:59:46 +01:00
Anthony Scemama e837d7d2ad Compiles 2017-12-18 14:31:45 +01:00
Anthony Scemama 864a2955e1 capitalize_ascii 2017-12-18 14:07:17 +01:00
Anthony Scemama 0c190934a8 Format in pseudo 2017-12-01 13:27:34 +01:00
Anthony Scemama f448c37461 Overlap of multiple states 2017-11-30 18:01:27 +01:00
Anthony Scemama 2e5752f8f5 Parallelism OK with 50 nodes 2017-11-29 19:10:27 +01:00
Anthony Scemama 4a7a80679b Control in put/get 2017-11-29 13:53:24 +01:00
Anthony Scemama 140a8e30fd Added control ID in zmq_state 2017-11-29 12:49:26 +01:00
Anthony Scemama 3ac2e2d8c3 Fixed CISD 2017-11-29 10:06:55 +01:00
Anthony Scemama d680c85b8c Parallelism OK 2017-11-28 15:51:21 +01:00
Anthony Scemama 68967d2101 Improved Parallelism 2017-11-27 23:18:18 +01:00
Anthony Scemama a9aeda4958 Packed tasks for PT2 stoch 2017-11-27 19:44:29 +01:00
Anthony Scemama fa7505ceca Fixed qp_run 2017-11-27 17:18:14 +01:00
Anthony Scemama 5fcb1e455e FIxed travis 2017-11-27 16:31:00 +01:00
Anthony Scemama 514b13bc2f Introduced put/get in OCaml 2017-11-26 23:47:19 +01:00
Anthony Scemama 9a0654c17d Error messages 2017-11-24 01:02:53 +01:00
Anthony Scemama 334f165ff1 First MPI tests seem OK 2017-11-22 17:07:16 +01:00
Anthony Scemama 31557a1180 Bohr possible in xyz 2017-11-20 12:25:12 +01:00
Anthony Scemama 9776667a3a README 2017-09-20 12:48:37 +02:00
Anthony Scemama f3501a2eda Added qp_find_pi_space.ml 2017-09-19 18:59:32 +02:00
Anthony Scemama 873112cb84 Fixed overlap in Ocaml 2017-09-14 19:35:38 +02:00
Anthony Scemama 7c8f56bd06 Fixed qp_overlap_of_wf.ml 2017-09-14 18:39:40 +02:00
Anthony Scemama 2da264acd1 Fixed OCaml 2017-09-13 20:44:12 +02:00
Anthony Scemama 972147dc6f Fixed MOGuess 2017-09-13 18:23:20 +02:00
Anthony Scemama 53bca8fc92 Fixed EZFIO.cfg 2017-09-13 17:37:54 +02:00
Anthony Scemama fa58b656f8 Fixed AOs to MOs 2017-09-11 23:48:52 +02:00
Anthony Scemama 5ba33d3630 Updated Git.ml 2017-09-01 14:34:53 +02:00
Anthony Scemama 3764b2b45d Strating to remove Core 2017-08-18 19:43:52 +02:00
Anthony Scemama 8523096a90 Modified for ocaml 4.04 2017-08-18 18:28:33 +02:00
Anthony Scemama 586c5e3435 Working on aux basis 2017-07-25 16:09:19 +02:00
Anthony Scemama 76f6de92fd Merge branch 'master' of github.com:scemama/quantum_package 2017-07-22 23:04:23 +02:00
Anthony Scemama 4bfd6de1bf Merge branch 'LCPQ-master' 2017-07-22 23:03:40 +02:00
Anthony Scemama b4b1d23f64 Fixed gaspi_command 2017-07-22 13:16:12 +02:00
Anthony Scemama fe76bd313a Changed mpirun into gaspi_run 2017-07-22 12:52:05 +02:00
Anthony Scemama 18f2145b3f Added mpirun in OCaml 2017-07-22 12:50:11 +02:00
Anthony Scemama a5d16ebe29 Fixed OCaml 2017-07-18 15:07:23 +02:00
Anthony Scemama 7bb54e2a43 Working on MPI 2017-07-17 23:33:42 +02:00
Thomas Applencourt c56c48ba6e Update Element.mli 2017-07-17 08:37:18 -05:00
Thomas Applencourt 94893acab6 Add Pt in Element.ml 2017-07-17 08:33:26 -05:00
Thomas Applencourt 660b959362 Update qp_print_basis.ml 2017-07-14 22:28:31 -05:00
Anthony Scemama bbb2c925b8 Typo 2017-07-11 07:18:59 +02:00
Anthony Scemama 703ea08146 Fixed bug in xyz file 2017-07-05 12:57:26 +02:00
Anthony Scemama 7eb7e2134a Working on dressing 2017-06-20 19:26:14 +02:00
Anthony Scemama 14158742bf Review 2017-06-19 09:42:52 +02:00