scemama/qp_plugins_scemama
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qp_plugins_scemama/devel/cc
History
Anthony Scemama 16d5b14f36 Added svdwf module
2020-09-30 20:44:53 +02:00
..
.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 svdwf module
2020-09-30 20:44:53 +02:00

README.rst 

==
CC
==