19 Commits

Author	SHA1	Message	Date
Anthony Scemama	76cc05f7cd	Save MRCC WF	2018-07-24 17:59:14 +02:00
Anthony Scemama	6c1040c766	Added 6-31g+	2018-07-17 14:42:15 +02:00
Anthony Scemama	7e7080dba3	Added AVnZ-BFD	2018-03-14 10:09:09 +01:00
Anthony Scemama	22e08fa6d6	Fixed bug	2017-06-19 11:14:03 +02:00
Anthony Scemama	c99b0cb299	Missing empty lines at end of basis sets	2016-09-20 09:49:20 +02:00
Anthony Scemama	20a857c446	Distributed PT2	2016-02-19 00:20:28 +01:00
Emmanuel Giner	2127503405	added tests for all_1h_1p	2016-02-16 12:34:04 +01:00
Anthony Scemama	6281d6b658	Added basis sets as text files.	2016-01-25 23:38:07 +01:00
Anthony Scemama	1f9a128793	Added EMSL_local in qp_create..	2015-01-12 16:59:07 +01:00
Anthony Scemama	e3fff202b8	Added MD5 key in AOs for check in MOs	2014-12-26 00:17:34 +01:00
Anthony Scemama	177c6722ac	Added 6-31g_star basis set	2014-12-11 01:37:49 +01:00
Anthony Scemama	e2de943f6c	Added qp_basis_clean.ml	2014-12-11 00:54:19 +01:00
Anthony Scemama	3f8f8da2ae	Added VDZ basis set	2014-10-27 22:19:48 +01:00
Anthony Scemama	0203b8cb71	Added ANO basis sets	2014-10-24 12:33:41 +02:00
Thomas Applencourt	7f482ca95c	Now good basis file	2014-10-24 10:58:30 +02:00
Thomas Applencourt	7613956051	Basis name corection	2014-10-23 19:10:19 +02:00
Anthony Scemama	80956939a0	Added basis sets	2014-10-08 09:31:59 +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