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mirror of https://github.com/pfloos/quack synced 2024-12-23 04:43:53 +01:00
quack/input
2020-03-24 14:55:22 +01:00
..
auxbasis inital commit for quack 2019-02-07 22:49:12 +01:00
basis spinorbital G0T0 OK 2020-03-24 14:55:22 +01:00
dft numgrid test 2020-03-23 17:26:12 +01:00
geminal MCQC under serious work 2019-03-13 16:15:53 +01:00
int CCD is working 2019-03-16 14:09:42 +01:00
methods spinorbital G0T0 OK 2020-03-24 14:55:22 +01:00
molecule spinorbital G0T0 OK 2020-03-24 14:55:22 +01:00
molecule.xyz spinorbital G0T0 OK 2020-03-24 14:55:22 +01:00
options pCCD and ppRPA 2020-03-24 12:28:56 +01:00
sph adding files 2019-05-07 22:57:57 +02:00
weight spinorbital G0T0 OK 2020-03-24 14:55:22 +01:00