12 Commits

Author	SHA1	Message	Date
vijay gopal chilkuri	7c226d0a99	Finished factor_en. #22	2021-07-06 15:51:51 +05:30
vijay gopal chilkuri	cb70c1f568	Created a function to provide the derivative functions along with Doc. #17	2021-06-01 13:01:14 +05:30
vijay gopal chilkuri	86634c373e	Changed doc for rescaled distances. #15	2021-05-26 14:22:52 +05:30
vijay gopal chilkuri	1208ddd73b	Added checks for LDB and LDC in qmckl_distance. #15	2021-05-26 14:08:09 +05:30
vijay gopal chilkuri	43197f390a	Changed variable kappa etc to rescaled_factor_kappa. #15	2021-05-26 13:32:48 +05:30
vijay gopal chilkuri	2e955f230d	Fixed distances_rescaled. #15	2021-05-26 13:19:31 +05:30
vijay gopal chilkuri	c02d8871d8	Function to calculate rescaled distances for elec-nucl. #15	2021-05-26 12:52:28 +05:30
vijay gopal chilkuri	f416799623	Completed tests for qmckl_error and added expression for rescaled distances. #15	2021-05-26 09:36:38 +05:30
vijay gopal chilkuri	e3a08947bd	Working on rescaled distances. #15	2021-05-25 17:48:25 +05:30
Anthony Scemama	1504330500	Added 'N' and 'T' in coord	2021-05-19 00:28:56 +02:00
Anthony Scemama	ee9e3c5b55	Removed need for munit	2021-05-11 16:47:22 +02:00
Anthony Scemama	c61556ef77	Working on automake	2021-05-11 11:45:49 +02:00