18 Commits

Author	SHA1	Message	Date
vijay gopal chilkuri	e802e8d8f2	Added en_distance_rescaled derivatives vs e. #17	2021-06-01 13:43:13 +05:30
vijay gopal chilkuri	b2995f3073	Fixed typo in org block header. #17	2021-06-01 13:27:38 +05:30
vijay gopal chilkuri	55d749f5c6	First a function to take the derivative vs e coords. #17	2021-06-01 13:00:26 +05:30
vijay gopal chilkuri	59f284d765	Added variables and doc for derivatives of ee_distance_rescaled. #17	2021-06-01 10:31:26 +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	7f9117434d	Finished adding all rescaled distances. Need to add tests. #15	2021-05-26 13:03:54 +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	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	2bbef647f5	No bugs with Clang static analyzer	2021-05-19 22:49:32 +02:00
Anthony Scemama	bbb6fac5db	Added cppcheck	2021-05-19 01:49:41 +02:00
Anthony Scemama	16595f898b	Fixed Makefile	2021-05-19 01:35:34 +02:00
Anthony Scemama	1504330500	Added 'N' and 'T' in coord	2021-05-19 00:28:56 +02:00
Anthony Scemama	d78890e31b	Added eN distances	2021-05-18 12:32:28 +02:00
Anthony Scemama	f2b109e14b	Added nucleus	2021-05-16 01:31:08 +02:00
Anthony Scemama	0fea378698	Improve electron module	2021-05-15 23:19:13 +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