This website requires JavaScript.
Explore
Help
Register
Sign In
LCPQ
/
qp2
Watch
9
Star
1
Fork
0
You've already forked qp2
mirror of
https://github.com/QuantumPackage/qp2.git
synced
2025-02-09 18:24:14 +01:00
Code
Releases
Activity
qp2
/
src
/
casscf_cipsi
History
eginer
b2e44beb3e
added casscf_cipsi
2023-06-18 21:42:40 +02:00
..
50.casscf.bats
added casscf_cipsi
2023-06-18 21:42:40 +02:00
bavard.irp.f
added casscf_cipsi
2023-06-18 21:42:40 +02:00
bielec_natorb.irp.f
added casscf_cipsi
2023-06-18 21:42:40 +02:00
bielec.irp.f
added casscf_cipsi
2023-06-18 21:42:40 +02:00
casscf.irp.f
added casscf_cipsi
2023-06-18 21:42:40 +02:00
class.irp.f
added casscf_cipsi
2023-06-18 21:42:40 +02:00
dav_sx_mat.irp.f
added casscf_cipsi
2023-06-18 21:42:40 +02:00
densities_peter.irp.f
added casscf_cipsi
2023-06-18 21:42:40 +02:00
densities.irp.f
added casscf_cipsi
2023-06-18 21:42:40 +02:00
det_manip.irp.f
added casscf_cipsi
2023-06-18 21:42:40 +02:00
driver_optorb.irp.f
added casscf_cipsi
2023-06-18 21:42:40 +02:00
EZFIO.cfg
added casscf_cipsi
2023-06-18 21:42:40 +02:00
get_energy.irp.f
added casscf_cipsi
2023-06-18 21:42:40 +02:00
grad_old.irp.f
added casscf_cipsi
2023-06-18 21:42:40 +02:00
gradient.irp.f
added casscf_cipsi
2023-06-18 21:42:40 +02:00
hessian_old.irp.f
added casscf_cipsi
2023-06-18 21:42:40 +02:00
hessian.irp.f
added casscf_cipsi
2023-06-18 21:42:40 +02:00
mcscf_fock.irp.f
added casscf_cipsi
2023-06-18 21:42:40 +02:00
natorb.irp.f
added casscf_cipsi
2023-06-18 21:42:40 +02:00
NEED
added casscf_cipsi
2023-06-18 21:42:40 +02:00
neworbs.irp.f
added casscf_cipsi
2023-06-18 21:42:40 +02:00
README.rst
added casscf_cipsi
2023-06-18 21:42:40 +02:00
reorder_orb.irp.f
added casscf_cipsi
2023-06-18 21:42:40 +02:00
save_energy.irp.f
added casscf_cipsi
2023-06-18 21:42:40 +02:00
superci_dm.irp.f
added casscf_cipsi
2023-06-18 21:42:40 +02:00
swap_orb.irp.f
added casscf_cipsi
2023-06-18 21:42:40 +02:00
tot_en.irp.f
added casscf_cipsi
2023-06-18 21:42:40 +02:00
README.rst
====== casscf ====== |CASSCF| program with the CIPSI algorithm.