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

17 Commits

Author SHA1 Message Date
Thomas Applencourt
7ccfee69a5 Add qp_utils.py for cache decorator, remove pickl in ei_handler.py 2015-05-05 11:05:27 +02:00
Thomas Applencourt
c283e6b688 Change create_module.sh into qp_create_module.sh and so on 2015-05-04 16:03:38 +02:00
Thomas Applencourt
5d29f3c8d9 Put prepare_ezfio.sh in ezfio_interface/ 2015-04-30 14:27:32 +02:00
Thomas Applencourt
e4b4871cb5 Remove fancy_type pickled when Make veryclean is call 2015-04-13 09:57:17 +02:00
3284b9d645 Added spindeterminants EZFIO routines 2015-03-27 13:38:44 +01:00
a500848a8b Improved Ocaml makefile 2015-03-26 01:35:50 +01:00
6b2496d0ed Lots of cleaning in scripts and Makefiles 2015-03-26 00:33:45 +01:00
b16f2a7e48 Minor changes 2015-01-19 10:38:07 +01:00
17ee86908f make -j NPROC 2015-01-11 21:40:04 +01:00
32ce5e46d0 make compiles everything 2015-01-11 20:28:33 +01:00
292261dc2a Added INSTALL.md 2015-01-09 23:52:44 +01:00
12d6f6a568 Added ocaml qp_run 2014-10-10 00:26:49 +02:00
9897ba6c19 CISD selection + MP2 clean 2014-05-27 17:30:44 +02:00
20ed8c923a Simplified Makefiles 2014-04-03 11:28:54 +02:00
f9f3fac7ff Make all_modules and all_clean compiles in parallel. Added NEEDED_MODULES 2014-04-03 11:19:41 +02:00
a89f032e15 Added MOs and bitmasks 2014-04-03 01:59:48 +02:00
6c29d22aa2 Added Utils, Electrons, Ezfio, Nuclei, include, AOs. 2014-04-01 18:38:51 +02:00