auxbasis
|
inital commit for quack
|
2019-02-07 22:49:12 +01:00 |
dft
|
scaling N-centered
|
2020-09-29 11:47:18 +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
|
dipole UHF OK
|
2020-10-04 12:40:44 +02:00 |
options
|
S^2 for ground state OK
|
2020-10-03 22:16:38 +02:00 |
sph
|
adding files
|
2019-05-07 22:57:57 +02:00 |
weight
|
major modification for makefiles
|
2020-09-30 00:10:57 +02:00 |