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Commit Graph

10 Commits

Author SHA1 Message Date
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
1504330500 Added 'N' and 'T' in coord 2021-05-19 00:28:56 +02:00
ee9e3c5b55 Removed need for munit 2021-05-11 16:47:22 +02:00
c61556ef77 Working on automake 2021-05-11 11:45:49 +02:00