19 Commits

Author	SHA1	Message	Date
Anthony Scemama	3991f7e212	Revert changes + make clean	2020-01-20 09:42:16 +01:00
Anthony Scemama	241cd67613	Makefile OK for notebooks	2019-11-30 10:41:07 +01:00
Anthony Scemama	c2ead899d9	Accelerated direct FCI	2019-04-03 22:27:41 +02:00
Anthony Scemama	5e399dac44	Accelerated direct FCI	2019-04-03 22:17:20 +02:00
Anthony Scemama	7633f01746	Added conjugate-gradient	2019-03-21 16:32:41 +01:00
Anthony Scemama	2c8a303e40	Added MP2	2019-03-18 12:41:32 +01:00
Anthony Scemama	6d78d155f4	Added functor for Two-electron integrals	2019-03-08 17:47:58 +01:00
Anthony Scemama	0f2285b557	Improved arbitrary space	2019-03-04 23:27:08 +01:00
Anthony Scemama	b72a1e251e	Added Hartree-Fock guess with projection	2019-03-04 19:01:54 +01:00
Anthony Scemama	8454863e91	Cleaned simulation	2019-02-20 18:15:15 +01:00
Anthony Scemama	c8c00e1cf9	Fixed makefile for doc	2019-02-15 11:08:10 +01:00
Anthony Scemama	a194a1d61f	Choosing MPI or not at configuration	2019-01-15 15:17:34 +01:00
Anthony Scemama	be47e1c9c3	Working on parallel	2018-10-16 19:09:00 +02:00
Anthony Scemama	408b7692a6	Initiated parallel	2018-10-16 00:27:58 +02:00
Anthony Scemama	9ff27d2639	Added sign in determinants	2018-07-20 19:02:56 +02:00
Anthony Scemama	4f41af9e31	Four-idx transformation	2018-07-20 16:10:20 +02:00
Anthony Scemama	125e5dac4c	Introduced Alcotest	2018-07-04 20:24:57 +02:00
Anthony Scemama	3482e02695	Working on DIIS	2018-05-31 16:46:45 +02:00
Anthony Scemama	17c9aef254	Opam package	2018-03-28 01:50:19 +02:00