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Commit Graph

15 Commits

Author SHA1 Message Date
5e87c5edef Indentation 2018-02-03 19:01:30 +01:00
08df6eddec Recursive Boys function + removed zerom cache 2018-02-02 21:55:41 +01:00
49c503fa55 Optimization 2018-02-02 01:25:10 +01:00
fb8fff6ee1 Optimization 2018-02-02 00:04:35 +01:00
9365e69488 Optimized gamma_q 2018-02-01 23:00:22 +01:00
91f1dacaf4 removed GSL dependency 2018-02-01 22:53:00 +01:00
d93729deff gamma function from libm 2018-02-01 22:39:23 +01:00
daf96d567b Erf 2018-02-01 22:19:23 +01:00
b5ee17ca3e Boys 2018-02-01 19:10:20 +01:00
c666878dcd Fast 00 2018-02-01 19:06:29 +01:00
4a4809fc7e Inserted overlap 2018-01-22 23:19:24 +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
dad44067f7 Reading both XYZ and Zmatrix 2018-01-17 15:56:57 +01:00