205 Commits

Author	SHA1	Message	Date
vijay gopal chilkuri	b1d63752fb	Fixed some warnings. #22	2021-07-08 10:40:24 +05:30
vijay gopal chilkuri	751d918147	Fixed size_t to int64_t. #22	2021-07-08 10:28:15 +05:30
vijay gopal chilkuri	0383b29b88	Testing - VIII. #22	2021-07-07 22:09:08 +05:30
vijay gopal chilkuri	a09c29eb64	Testing - VII. #22	2021-07-07 22:02:27 +05:30
vijay gopal chilkuri	0391efe5b8	Testing - VI. #22	2021-07-07 21:04:33 +05:30
vijay gopal chilkuri	c4b60c25f6	Testing - V. #22	2021-07-07 20:55:46 +05:30
vijay gopal chilkuri	e821fab575	Testing - IV. #22	2021-07-07 20:53:10 +05:30
vijay gopal chilkuri	49a3b3d414	Testing - III. #22	2021-07-07 20:48:49 +05:30
vijay gopal chilkuri	478ce7cc38	Testing - II. #22	2021-07-07 20:45:55 +05:30
vijay gopal chilkuri	22c8f01bab	Testing. #22	2021-07-07 20:41:25 +05:30
vijay gopal chilkuri	dce0d9373e	Part 1 test. #22	2021-07-07 20:30:19 +05:30
vijay gopal chilkuri	acf2dc217e	Checking tests. #22	2021-07-07 20:22:51 +05:30
vijay gopal chilkuri	1fb5615035	Commented some tests. #22	2021-07-07 20:17:45 +05:30
vijay gopal chilkuri	21937c1e36	Activated all tests. #22	2021-07-07 19:56:58 +05:30
vijay gopal chilkuri	9d46ed28c5	Activated tests 1. #22	2021-07-07 19:46:18 +05:30
vijay gopal chilkuri	48436607d6	Activated header. #22	2021-07-07 19:42:07 +05:30
vijay gopal chilkuri	852e12ce91	Fixed names of argument lists. #22	2021-07-07 19:37:58 +05:30
vijay gopal chilkuri	56eae6d0ea	Fix for kind in call to iand. #22	2021-07-07 19:22:15 +05:30
vijay gopal chilkuri	b4c7a8b0ac	Removed jastrow tests for debugging github ci. #22	2021-07-07 19:18:11 +05:30
vijay gopal chilkuri	1b74243155	Done with factor_een_deriv_e. Needs testing. #22	2021-07-07 18:08:56 +05:30
vijay gopal chilkuri	9b697278d7	Added derivatives of rescale_een_e and rescale_een_n. #22	2021-07-07 17:49:03 +05:30
vijay gopal chilkuri	55ac5b3787	Added factor_een. #22	2021-07-07 14:06:18 +05:30
vijay gopal chilkuri	e0a291d4a7	Finalizing things before factor_een. #22	2021-07-07 13:40:28 +05:30
vijay gopal chilkuri	b6bb9be359	Finished een_rescale_n. #22	2021-07-07 12:40:23 +05:30
vijay gopal chilkuri	a7c1fe526e	Working on factor_een. #22	2021-07-07 11:23:04 +05:30
vijay gopal chilkuri	2af6e36252	Reinstated all tests. #22	2021-07-06 21:29:42 +05:30
vijay gopal chilkuri	2055cc59be	Reinstated some tests. #22	2021-07-06 21:24:44 +05:30
vijay gopal chilkuri	dfd1b01cbd	Testing include of n2 file. #22	2021-07-06 20:58:11 +05:30
vijay gopal chilkuri	5d17992339	Removed n2 header from jastrow tests. #22	2021-07-06 20:55:15 +05:30
vijay gopal chilkuri	a94c6a598a	Fixed issue with tests header. Reinstated Jastrow tests. #22	2021-07-06 20:37:08 +05:30
vijay gopal chilkuri	9b55720fa0	Removed jastrow tests for checking github ci. #22	2021-07-06 20:05:03 +05:30
vijay gopal chilkuri	4c20982d6f	Fixed memory lead in malloc caught by valgrind. #22	2021-07-06 19:49:22 +05:30
vijay gopal chilkuri	9df44ee026	Finished factor_en_deriv_e. #22	2021-07-06 18:57:14 +05:30
vijay gopal chilkuri	b0f4069c5b	Removed asserts for checking github build. #22	2021-07-06 17:13:39 +05:30
vijay gopal chilkuri	a5a1e6dc2f	Fixed unused variables warning. #22	2021-07-06 17:12:31 +05:30
vijay gopal chilkuri	0f761ae86c	Working on factor_en_deriv_e. #22	2021-07-06 16:20:17 +05:30
vijay gopal chilkuri	7c226d0a99	Finished factor_en. #22	2021-07-06 15:51:51 +05:30
vijay gopal chilkuri	0df816c0ba	Finished ee_deriv_e. #20	2021-07-06 12:57:14 +05:30
vijay gopal chilkuri	c9decf482f	Working on factor_ee_deriv_e. #22	2021-07-05 22:58:04 +05:30
vijay gopal chilkuri	360587ef36	Factor ee implemented. #22	2021-07-05 18:32:05 +05:30
vijay gopal chilkuri	ad824d0f71	Renamed test file to n2 and fixed a few bugs. #162	2021-07-05 14:37:09 +05:30
vijay gopal chilkuri	931d364b1d	Jastrow specific test b2.h header added. #22	2021-06-25 11:54:53 +05:30
vijay gopal chilkuri	32c0e7c723	Added function to compute asymmetric factor. #22	2021-06-25 08:54:50 +05:30
vijay gopal chilkuri	97ad53fd76	Added public get and set functions. #22	2021-06-25 07:48:08 +05:30
vijay gopal chilkuri	01516c84c5	Added checking providers for electron and nucleus distance. #22	2021-06-24 17:32:42 +05:30
vijay gopal chilkuri	de65455eee	moved the provided function. #22	2021-06-24 17:26:24 +05:30
vijay gopal chilkuri	06ad700b29	Started work on finalizing Jastrow. #22	2021-06-24 17:09:39 +05:30
vijay gopal chilkuri	d487b5365f	Implemented setters and getters. #22	2021-06-24 17:05:16 +05:30
vijay gopal chilkuri	04de6a5b52	Fixed typos and bugs. #22	2021-06-24 14:44:43 +05:30
vijay gopal chilkuri	c945514e56	Added all the required tables and data for Jastrow. #22	2021-06-24 14:42:33 +05:30
vijay gopal chilkuri	7593bf7436	Added jastrow header to context. #22	2021-06-23 17:56:01 +05:30
vijay gopal chilkuri	5461d75161	Added jastrow context. #22	2021-06-23 17:27:01 +05:30
vijay gopal chilkuri	25b30382dc	Modified library function. #20	2021-06-23 15:08:38 +05:30
vijay gopal chilkuri	b63f28ee72	Working on context.	2021-06-23 14:25:59 +05:30
vijay gopal chilkuri	fe0d51b968	Started working on Jastrow. #20	2021-06-23 12:18:43 +05:30