Pierre-Francois Loos 467fa5d08c fix correlation keywords

2020-07-08 11:26:47 +02:00

..

auxbasis

inital commit for quack

2019-02-07 22:49:12 +01:00

basis

clean up

2020-07-06 15:42:21 +02:00

dft

fix correlation keywords

2020-07-08 11:26:47 +02:00

geminal

MCQC under serious work

2019-03-13 16:15:53 +01:00

int

fix problem with individual energies

2020-07-08 10:55:03 +02:00

methods

fix option mismatch

2020-06-17 22:10:08 +02:00

molecule

fix another mismatch in options

2020-06-18 08:47:51 +02:00

molecule.xyz

fix another mismatch in options

2020-06-18 08:47:51 +02:00

options

fix problem with individual energies

2020-07-08 10:55:03 +02:00

sph

adding files

2019-05-07 22:57:57 +02:00

weight

clean up

2020-07-06 15:42:21 +02:00