16 Commits

Author	SHA1	Message	Date
Anthony Scemama	8502befb65	Update documentation	2021-01-28 00:34:26 +01:00
Anthony Scemama	d0f61750da	Add Gaussian.Atomic_shell_pair	2021-01-20 23:55:34 +01:00
Anthony Scemama	08bd5303d9	Added HTML documentation	2021-01-01 17:05:25 +01:00
Anthony Scemama	92c23f042f	Added simulation	2021-01-01 11:52:08 +01:00
Anthony Scemama	56d151ea36	Fixed Qcaml module	2020-12-29 00:03:01 +01:00
Anthony Scemama	65d04a76f2	Cleaned readme for auto-generation	2020-12-28 12:23:39 +01:00
Anthony Scemama	59980ed51c	Add MP2	2020-12-07 13:52:56 +01:00
Anthony Scemama	2a7a586c92	Added a test for Hartree-Fock	2020-10-26 11:52:24 +01:00
Anthony Scemama	a907572217	Merge branch 'dev' of gitlab.com:scemama/QCaml into dev	2020-10-18 01:59:47 +02:00
Anthony Scemama	16adf48234	Introduced infix operators for Vector and Matrices	2020-10-17 19:02:37 +02:00
Anthony Scemama	62eacf4146	Renamed Gaussian_basis into Gaussian	2020-10-10 10:59:09 +02:00
Anthony Scemama	357bb0289a	Exposing modules	2020-10-09 15:56:50 +02:00
Anthony Scemama	31f4270b35	Exposing modules	2020-10-09 13:54:57 +02:00
Anthony Scemama	7e26b5833a	Added qcaml module	2020-10-09 10:02:18 +02:00
Anthony Scemama	b9fb5e7903	Renamed ao_basis to ao	2020-10-09 09:38:52 +02:00
Anthony Scemama	e4c04af617	Added qcaml module	2020-10-08 12:56:47 +02:00