11 Commits

Author	SHA1	Message	Date
v1j4y	5e399a423e	Added det struct to context. #41	2021-10-04 16:52:13 +02:00
v1j4y	3fa60a3009	Implemented MOs. Needs testing. #32	2021-09-15 18:30:41 +02:00
vijay gopal chilkuri	7593bf7436	Added jastrow header to context. #22	2021-06-23 17:56:01 +05:30
Anthony Scemama	4bcb9b980c	Implemented AO primitives	2021-06-10 23:54:39 +02:00
Anthony Scemama	4ae5517641	Working on AOs	2021-06-10 00:10:19 +02:00
Anthony Scemama	8090edc771	Fix AO tests	2021-06-03 22:34:23 +02:00
vijay gopal chilkuri	ef51934c7c	Added kappa (distance rescale factor) to electron and nucleus structs along with tests. #15	2021-05-26 11:59:03 +05:30
Anthony Scemama	f2b109e14b	Added nucleus	2021-05-16 01:31:08 +02:00
Anthony Scemama	ee9e3c5b55	Removed need for munit	2021-05-11 16:47:22 +02:00
Anthony Scemama	d4711206f0	Introduced qmckl.h in org files	2021-05-11 13:57:23 +02:00
Anthony Scemama	c61556ef77	Working on automake	2021-05-11 11:45:49 +02:00