68 Commits

This Branch

This Branch

All Branches

Author	SHA1	Message	Date
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	532621736c	Typo	2015-03-11 10:36:05 +01:00
Thomas Applencourt	8a756a465a	Topologie, Doc, and glob	2015-03-11 10:32:44 +01:00
Thomas Applencourt	70553f1779	Suport of --average_number_mo	2015-03-10 19:30:11 +01:00
Thomas Applencourt	57c4ac024d	No debug print...	2015-03-10 09:09:11 +01:00
Thomas Applencourt	284c697fab	Fix #8 Same coef in L for S and P issue	2015-03-10 09:03:22 +01:00
Thomas Applencourt	05553ec132	And number of line	2015-02-27 14:32:09 +01:00
Thomas Applencourt	1729a48591	Add rought estimation of number of basis	2015-02-27 11:52:25 +01:00
Thomas Applencourt	377297deb7	try except else	2015-01-26 09:00:53 +01:00
Thomas Applencourt	ad2a00cfb9	Example of use	2015-01-20 14:24:44 +01:00
Thomas Applencourt	7c6812f258	New design for basis set	2015-01-20 14:20:06 +01:00
Thomas Applencourt	d9fdab2469	Beter ergonomy	2015-01-16 16:51:56 +01:00
Thomas Applencourt	dc52d30fac	Check db in many way	2015-01-16 09:38:12 +01:00
Thomas Applencourt	be9c65f77d	Merge pull request #7 from scemama/master ... Correction to issue #6	2015-01-16 08:23:15 +01:00
Anthony Scemama	26ea3373b6	Corrects issue #6	2015-01-15 23:19:40 +01:00
Anthony Scemama	13b8c56766	Merge pull request #1 from TApplencourt/master ... Merge	2015-01-15 22:56:23 +01:00
Thomas Applencourt	680a26e575	Update README.md	2015-01-13 10:09:57 +01:00
Thomas Applencourt	502d3dd77e	Update README.md	2015-01-13 10:07:13 +01:00
Thomas Applencourt	d9aa10f258	Update README.md	2015-01-13 10:01:33 +01:00
Thomas Applencourt	ed3765d4b0	Update README.md	2015-01-12 20:52:01 +01:00
Thomas Applencourt	845d9d6f6c	Update README.md ... Gif !!!	2015-01-12 16:01:52 +01:00
Thomas Applencourt	50216ccaf2	Reput pip install request	2015-01-12 14:22:13 +01:00
Thomas Applencourt	038b89645d	Merge pull request #5 from scemama/master ... Simplified try/except with docopt	2015-01-12 14:21:39 +01:00
Anthony Scemama	4caf917c36	Simplified try/except with docopt	2015-01-12 12:22:18 +01:00
Thomas Applencourt	edca17607b	Add elets_abrev	2015-01-09 17:29:59 +01:00
Thomas Applencourt	80c69ae88a	New db working	2015-01-09 16:32:40 +01:00
Thomas Applencourt	cf1e3768d7	New db	2015-01-09 15:44:03 +01:00
Thomas Applencourt	5314b7b204	Bug cause by a = b = []	2015-01-09 14:26:54 +01:00
Thomas Applencourt	01d5928155	Working (maybe) L convertion	2015-01-09 14:01:27 +01:00
Thomas Applencourt	45e0dfb854	Add new without --with_L	2015-01-09 13:17:37 +01:00
Thomas Applencourt	a14d7ffba9	Add Save option	2015-01-08 17:07:53 +01:00
Thomas Applencourt	9abbc80ef0	Minor bug	2015-01-08 16:58:57 +01:00
Thomas Applencourt	44bf2f0384	Clean up and save option	2015-01-08 16:12:15 +01:00
Thomas Applencourt	d66bedc716	Merge branch 'master' of github.com:TApplencourt/EMSL_Basis_Set_Exchange_Local	2014-12-11 10:30:54 +01:00
Thomas Applencourt	426f847bf3	New Working db	2014-12-11 10:30:40 +01:00
Thomas Applencourt	3acceb2639	Merge pull request #2 from gitter-badger/gitter-badge ... Add a Gitter chat badge to README.md	2014-12-04 15:07:50 +01:00
The Gitter Badger	0b1235b314	Added Gitter badge	2014-12-04 14:07:19 +00:00
Thomas Applencourt	361def234e	Merge branch 'master' of github.com:TApplencourt/EMSL_Basis_Set_Exchange_Local	2014-11-24 12:22:43 +01:00
Thomas Applencourt	cf5ffd34ee	List basis give now the description	2014-11-24 12:22:31 +01:00
Applencourt	f1b55eacee	Update README.md	2014-11-20 16:31:26 +01:00
Thomas Applencourt	45a26ba7e1	Add the gaussian uk contracted databaset	2014-11-20 15:34:46 +01:00
Thomas Applencourt	4cc365d22f	Add support of list_basis_available for a set of element	2014-11-20 15:33:26 +01:00
Thomas Applencourt	8aa5904ada	Merge branch 'master' of github.com:TApplencourt/EMSL_Basis_Set_Exchange_Local	2014-11-20 11:33:06 +01:00
Thomas Applencourt	b96642a8d9	add durty but working autocompletion	2014-11-20 11:33:00 +01:00