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Commit Graph

75 Commits

Author SHA1 Message Date
d7c3c9f6b7 Introducing unique shell pairs 2018-02-07 13:33:25 +01:00
5b4d49773d Documentation 2018-02-06 18:12:19 +01:00
666a4f4f69 Fixed ERI 2018-02-06 15:49:17 +01:00
925cdf693f Working on Nuclear integrals 2018-02-03 23:26:20 +01:00
5e87c5edef Indentation 2018-02-03 19:01:30 +01:00
e3aecbff7d Merge branch 'tuples' 2018-02-03 18:39:14 +01:00
6c6bcb462f vrr0 OK 2018-02-03 17:11:26 +01:00
45361068a2 Introducing monocentric 2018-02-03 16:41:29 +01:00
94ab6f0174 zerom_cache 2018-02-02 21:14:13 +01:00
b4ab7c39bd Store ERI in a genarray 2018-02-02 10:10:05 +01:00
49c503fa55 Optimization 2018-02-02 01:25:10 +01:00
a586ccc434 Fixed norm inefficiency 2018-02-01 17:14:34 +01:00
148052025c Array of m 2018-01-31 14:37:51 +01:00
803fa3a0d9 Added print: 2018-01-30 22:36:17 +01:00
b0a6353ade Optimizations swap 2018-01-29 23:51:58 +01:00
9262688642 Optimizations 2018-01-29 23:44:48 +01:00
15ef05a9b1 Working on vectorization 2018-01-25 01:28:10 +01:00
e9c0a8d0db Working on ERI 2018-01-24 02:14:37 +01:00
e0c0ec1353 Schwartz 2018-01-23 19:26:28 +01:00
b92eaf9fe5 Cleaning 2018-01-19 23:31:10 +01:00
60e374eb03 ERI tested with QP -> OK 2018-01-19 17:45:55 +01:00
73c8e48731 Optimized ERIs 2018-01-19 03:14:06 +01:00
932d5859fe General RR module 2018-01-18 23:42:48 +01:00
0687671098 Working on input 2018-01-18 00:21:05 +01:00
97e4a09664 Cleaning 2018-01-17 19:22:30 +01:00