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mirror of https://github.com/TREX-CoE/qmckl.git synced 2024-12-22 20:36:01 +01:00
Commit Graph

18 Commits

Author SHA1 Message Date
e08456bd61 Introduced write_provider org functions 2022-07-09 13:11:20 +02:00
53e2e7bb05 All tests pass without trexio 2022-01-06 02:28:13 +01:00
5b6404db92 Cleaned AO file 2022-01-05 19:25:51 +01:00
1be1a99529 Documentation of Aos 2022-01-05 15:56:25 +01:00
vijay
61751c307f
Merge branch 'master' into ao_mo_vj 2021-09-15 11:21:21 +02:00
v1j4y
eeaee39acd Removed RETURN blocks from lib to avoid dead code. 2021-09-14 12:05:10 +02:00
v1j4y
ec9d5d23a2 Bug fix for get_value lisp function. 2021-09-14 09:56:31 +02:00
v1j4y
a41c67b94f Working on qmckl_dgemm. 2021-09-07 16:36:26 +02:00
vijay gopal chilkuri
dce8cad154 Modified autogen functions to incorporate unsigned. #25 2021-07-19 18:24:19 +02:00
75a93d12c6 Added AO polynomials 2021-07-12 15:04:21 +02:00
vijay gopal chilkuri
0df816c0ba Finished ee_deriv_e. #20 2021-07-06 12:57:14 +05:30
vijay gopal chilkuri
25b30382dc Modified library function. #20 2021-06-23 15:08:38 +05:30
6b2c188475 Computation of shells 2021-06-22 23:33:09 +02:00
5c285dcdb6 Fixed distances 2021-04-17 12:35:52 +02:00
33f33fcdf3 Auto-generate interfaces 2021-04-16 01:09:41 +02:00
ff8330f8f9 Include lib.org 2021-04-09 11:26:04 +02:00
fac7e9d74f Easier context 2021-03-30 14:51:23 +02:00
be44127dba Included auto-generation of Fortran in distances 2021-03-20 16:56:22 +01:00