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Commit Graph

10 Commits

Author SHA1 Message Date
a90b446beb Fixed floating-point exceptions 2020-05-25 19:22:10 +02:00
9c52a612dd Interatomic distance 2020-05-25 09:29:57 +02:00
c614cb3922 Fixed conversion 2020-05-15 15:12:39 +02:00
Kevin Gasperich
f65b7c0ead minor name change 2019-12-09 12:16:48 -06:00
46d61b4117 Added imaginary EZFIO arrays for one-e 2019-12-02 18:18:30 +01:00
Emmanuel Giner LCT
2e32cd2267 changed some radiis for DFT 2019-08-30 20:00:29 +02:00
bf96d8c0c8 Renamed disk_access_nuclear_repulsion 2019-07-23 14:54:03 +02:00
96c17686b4 fixed bugs with dummy atom and becke grid 2019-05-28 18:49:21 +02:00
Emmanuel Giner
02968f569e fixed bug for dummy atoms X 2019-03-27 12:56:32 +01:00
24d9745056 Initial commit 2019-01-25 11:39:31 +01:00