|
dft
|
potential for LYP done
|
2021-02-13 16:06:38 +01:00 |
|
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
|
OK with GGA exchange functionals
|
2021-02-12 16:47:40 +01:00 |
|
options
|
OK with GGA exchange functionals
|
2021-02-12 16:47:40 +01:00 |
|
sph
|
adding files
|
2019-05-07 22:57:57 +02:00 |
