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Commit Graph

14 Commits

Author SHA1 Message Date
90481d296b TRR and Gc 2018-02-22 01:38:47 +01:00
0455da3b46 Nuclear repulsion 2018-02-20 23:54:48 +01:00
730f6a9e3f Introduces Simulation 2018-02-09 00:37:25 +01:00
8b1b260c90 All one- and two- electron integrals OK 2018-02-06 17:39:14 +01:00
666a4f4f69 Fixed ERI 2018-02-06 15:49:17 +01:00
db46395e4e Working on Nuc 2018-02-05 23:31:46 +01:00
925cdf693f Working on Nuclear integrals 2018-02-03 23:26:20 +01:00
9c9fc0a9e6 Small optimizations 2018-01-30 14:51:37 +01:00
4a4809fc7e Inserted overlap 2018-01-22 23:19:24 +01:00
bba7b6e8e4 Optimizations 2018-01-19 20:20:19 +01:00
73c8e48731 Optimized ERIs 2018-01-19 03:14:06 +01:00
e3e16bd5bd Pretty printing 2018-01-18 17:39:10 +01:00
72eb1ce5c3 Added Angstrom 2018-01-18 14:56:08 +01:00
0687671098 Working on input 2018-01-18 00:21:05 +01:00