| .. |
|
.gitignore
|
General CCSD
|
2019-09-11 17:09:30 +02:00 |
|
amplitudes.irp.f
|
Using dgemm in r2_cc
|
2019-09-19 16:19:11 +02:00 |
|
antisymmetrize_ERI.irp.f
|
fork CC from mveril and pfloos
|
2019-09-09 16:51:15 +02:00 |
|
cc.irp.f
|
Guess amplitudes OK
|
2019-09-10 13:35:20 +02:00 |
|
CCSD_Ec_nc.irp.f
|
Cleaning
|
2019-09-14 15:07:26 +02:00 |
|
CCSD.irp.f
|
Cleaning
|
2019-09-14 15:07:26 +02:00 |
|
CCSDT.irp.f
|
Removed t1, t2
|
2019-09-14 14:25:53 +02:00 |
|
curly_Fock.irp.f
|
Optimized curly_W and Fock
|
2019-09-23 20:03:13 +02:00 |
|
curly_W.irp.f
|
Optimized curly_W and Fock
|
2019-09-23 20:03:13 +02:00 |
|
denominators.irp.f
|
General CCSD
|
2019-09-11 17:09:30 +02:00 |
|
dimensions.irp.f
|
fork CC from mveril and pfloos
|
2019-09-09 16:51:15 +02:00 |
|
EZFIO.cfg
|
Working on CC
|
2019-09-09 17:48:01 +02:00 |
|
form_abh.irp.f
|
Removed nO nV
|
2019-09-14 14:15:25 +02:00 |
|
form_g.irp.f
|
Removed nO nV
|
2019-09-14 14:15:25 +02:00 |
|
form_h.irp.f
|
Removed nO nV
|
2019-09-14 14:15:25 +02:00 |
|
form_r2.irp.f
|
Removed nO nV
|
2019-09-14 14:15:25 +02:00 |
|
form_T.irp.f
|
Removed nO nV
|
2019-09-14 14:15:25 +02:00 |
|
form_tau_nc.irp.f
|
Removed tau
|
2019-09-14 14:32:41 +02:00 |
|
form_taus_nc.irp.f
|
Removed taus
|
2019-09-14 14:28:30 +02:00 |
|
form_ub.irp.f
|
Removed t1, t2
|
2019-09-14 14:25:53 +02:00 |
|
form_ubb.irp.f
|
Removed t1, t2
|
2019-09-14 14:25:53 +02:00 |
|
integral_batches.irp.f
|
Using dgemm in r2_cc
|
2019-09-19 16:19:11 +02:00 |
|
Kronecker_delta.irp.f
|
fork CC from mveril and pfloos
|
2019-09-09 16:51:15 +02:00 |
|
MP2.irp.f
|
Removed nO nV
|
2019-09-14 14:15:25 +02:00 |
|
NEED
|
General CCSD
|
2019-09-11 17:09:30 +02:00 |
|
r1_cc.irp.f
|
Optimized curly_W and Fock
|
2019-09-23 20:03:13 +02:00 |
|
r2_cc.irp.f
|
Dgemmized CC
|
2019-09-23 17:47:55 +02:00 |
|
README.rst
|
fork CC from mveril and pfloos
|
2019-09-09 16:51:15 +02:00 |
|
save_energy.irp.f
|
fork CC from mveril and pfloos
|
2019-09-09 16:51:15 +02:00 |
|
spatial_to_spin_ERI.irp.f
|
Guess amplitudes OK
|
2019-09-10 13:35:20 +02:00 |
|
spatial_to_spin_MO.irp.f
|
Added bounds check
|
2020-03-10 09:44:59 +01:00 |
