14 Commits

Author	SHA1	Message	Date
Anthony Scemama	17c71c3162	Selectors and generators default -> 0.999 of norm	2014-09-06 01:04:48 +02:00
Anthony Scemama	563a8bea4d	Added xyz types in symmetry (ocaml)	2014-08-27 16:38:13 +02:00
Anthony Scemama	7c8a66c6e9	Added cc-pVDZ basis set and periodic table data	2014-08-13 16:00:52 +02:00
Anthony Scemama	942b9339c6	Added ezfio_defaults in data	2014-07-29 14:23:33 +02:00
Anthony Scemama	64a14b52e9	Selection and perturbation work. Introduced new tests.	2014-05-24 02:39:18 +02:00
Anthony Scemama	2f3c451a4e	Updated input files with atom labels	2014-04-11 01:56:30 +02:00
Anthony Scemama	7ed4489fe1	Tests more general	2014-04-07 22:47:34 +02:00
Anthony Scemama	346731bddc	Renamed test inputs	2014-04-07 15:18:11 +02:00
Anthony Scemama	de6af26a8b	Makefile in data/inputs corrected	2014-04-07 09:21:53 +02:00
Anthony Scemama	550547e54b	Added checked inputs for tests.	2014-04-07 00:39:18 +02:00
Anthony Scemama	796394d798	Bugs in unarchive EZFIO	2014-04-05 01:07:42 +02:00
Anthony Scemama	99b4de3939	Archive and unarchive EZFIO input files works	2014-04-04 01:34:33 +02:00
Anthony Scemama	c7768ba335	Added MD5 archive script for test input files	2014-04-03 17:43:50 +02:00
Anthony Scemama	01aae7bf4d	Added README.rst in all directories	2014-04-03 16:23:27 +02:00