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Commit Graph

12 Commits

Author SHA1 Message Date
2e54537f15 v3 of (T) is fast!
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continuous-integration/drone/push Build is failing
2023-05-14 02:41:34 +02:00
d4ba229e6f Symmetries in (T) 2023-05-14 02:21:25 +02:00
cad1da1768 All permutations in ccsd_t_space_orb_abc.irp.f 2023-05-13 23:29:58 +02:00
c18bea7e81 Merged 4 calls 2023-05-13 22:23:08 +02:00
2ff4e61c9e Better parallelism in (T) 2023-05-13 21:55:00 +02:00
1c0141d9a2 Full dgemm in ccsd_t_space_orb_abc.irp.f 2023-05-13 21:25:49 +02:00
ca5857ac36 Added dgemm in ccsd_t_space_orb_abc.irp.f 2023-05-13 15:34:16 +02:00
6289508c1e Swapped indices in CCSD(T) 2023-05-13 13:54:24 +02:00
69a76c6dba Added W_abc routines for (T) 2023-05-12 19:17:20 +02:00
0fa576f909 Accelerated (T) 2023-05-12 17:54:11 +02:00
79c9d91d19 missing script ccsd 2023-04-18 11:20:36 +02:00
fadbddc869 add ccsd 2023-03-13 14:08:32 +01:00