|
obj
|
major modification for makefiles
|
2020-09-30 00:10:57 +02:00 |
|
density_matrix.f90
|
major modification for makefiles
|
2020-09-30 00:10:57 +02:00 |
|
density.f90
|
major modification for makefiles
|
2020-09-30 00:10:57 +02:00 |
|
dipole_moment.f90
|
dipole UHF OK
|
2020-10-04 12:40:44 +02:00 |
|
huckel_guess.f90
|
major modification for makefiles
|
2020-09-30 00:10:57 +02:00 |
|
Makefile
|
CIS(D) sligntly faster
|
2020-10-02 13:42:21 +02:00 |
|
mo_guess.f90
|
major modification for makefiles
|
2020-09-30 00:10:57 +02:00 |
|
MOM_overlap.f90
|
major modification for makefiles
|
2020-09-30 00:10:57 +02:00 |
|
MOM.f90
|
major modification for makefiles
|
2020-09-30 00:10:57 +02:00 |
|
print_RHF.f90
|
dipole UHF OK
|
2020-10-04 12:40:44 +02:00 |
|
print_UHF.f90
|
spin flip for CIS and TDHF almost done
|
2020-10-05 16:58:19 +02:00 |
|
RHF.f90
|
dipole UHF OK
|
2020-10-04 12:40:44 +02:00 |
|
UHF.f90
|
fix bug for zero electrons
|
2020-10-06 15:24:24 +02:00 |
