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mirror of https://github.com/TREX-CoE/qmckl.git synced 2024-06-30 00:44:52 +02:00
Commit Graph

66 Commits

Author SHA1 Message Date
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