Clotilde Marut a4870ed165 added choice of exchange coefficient and choice of N-centered in the input file

2020-08-02 13:09:30 +02:00

..

auxbasis

inital commit for quack

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

basis

added occupation numbers of orbitals no and no+1 in input and N-centered weights in read_options

2020-08-01 11:45:17 +02:00

dft

added choice of exchange coefficient and choice of N-centered in the input file

2020-08-02 13:09:30 +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

added occupation numbers of orbitals no and no+1 in input and N-centered weights in read_options

2020-08-01 11:45:17 +02:00

molecule.xyz

added occupation numbers of orbitals no and no+1 in input and N-centered weights in read_options

2020-08-01 11:45:17 +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

added occupation numbers of orbitals no and no+1 in input and N-centered weights in read_options

2020-08-01 11:45:17 +02:00