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mirror of https://github.com/LCPQ/EMSL_Basis_Set_Exchange_Local synced 2025-04-02 06:51:34 +02:00

22 Commits

Author SHA1 Message Date
Thomas Applencourt
7ce8bfcbca Delete check_validation 2015-03-23 15:37:55 +01:00
Thomas Applencourt
4660f56711 Remove main in EMSL_LOCAL 2015-03-23 15:24:35 +01:00
Thomas Applencourt
85590ee477 Fix ~ in db path 2015-03-18 15:29:03 +01:00
Thomas Applencourt
496ef739b3 Little optimisation 2015-03-17 16:11:01 +01:00
Thomas Applencourt
baebe0de19 Change organisation 2015-03-17 15:39:51 +01:00
Thomas Applencourt
0af5cb6fa1 Add gaussian 94 support 2015-03-17 15:03:38 +01:00
Thomas Applencourt
68d5349857 Treat L 2015-03-17 14:31:40 +01:00
Thomas Applencourt
2c6a77cbf8 Add check_validity.py 2015-03-17 14:30:19 +01:00
Thomas Applencourt
29f7adaa3f Add dict for testing 2015-03-16 19:24:39 +01:00
Thomas Applencourt
ec0fc43bf8 Add format in db 2015-03-16 19:10:55 +01:00
Thomas Applencourt
84a7bc70f7 Add format 2015-03-16 17:59:54 +01:00
Thomas Applencourt
da966e6c3c Add format 2015-03-16 16:54:00 +01:00
Thomas Applencourt
a7dba23654 pep 8 2015-03-16 15:48:02 +01:00
Thomas Applencourt
a773c4ed06 Need format un get_basis_data now. For test ! Need cleaning. 2015-03-16 15:46:27 +01:00
Thomas Applencourt
4ec899d1f1 Fix () in filter for list_basis 2015-03-12 14:28:02 +01:00
Thomas Applencourt
d84ff1e538 Consitency for the naming convention 2015-03-12 14:16:49 +01:00
Thomas Applencourt
a8c430d669 Add --check for checking the output 2015-03-12 14:04:42 +01:00
Thomas Applencourt
18bc6bf347 Cleaning, Pep 8 2015-03-12 10:50:42 +01:00
Thomas Applencourt
5c2e20af96 Fix string_to_nb_mo 2015-03-12 09:53:52 +01:00
Thomas Applencourt
b5471ae36d Remove L traitement 2015-03-12 09:49:06 +01:00
Thomas Applencourt
0267d41e4f pep8 2015-03-11 10:37:15 +01:00
Thomas Applencourt
8a756a465a Topologie, Doc, and glob 2015-03-11 10:32:44 +01:00