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Commit Graph

33 Commits

Author SHA1 Message Date
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