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QuantumPackage/src/casscf
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Anthony Scemama 6531181316 More cleaning
2019-06-25 19:10:50 +02:00
..
bavard.irp.f CAS-CI and wdens merged 2019-06-24 16:42:16 +02:00
bielec_natorb.irp.f Cleaning 2019-06-25 18:53:48 +02:00
bielec.irp.f Cleaning 2019-06-25 18:53:48 +02:00
casscf.irp.f More cleaning 2019-06-25 19:10:50 +02:00
class.irp.f CAS-CI with no vvvv 2019-06-24 15:32:26 +02:00
densities.irp.f Cleaning 2019-06-25 18:53:48 +02:00
det_manip.irp.f Cleaning 2019-06-25 18:53:48 +02:00
driver_optorb.irp.f All programs merged. Iterations not working 2019-06-24 17:03:27 +02:00
EZFIO.cfg CAS-CI works 2019-06-24 15:37:09 +02:00
gradient.irp.f Cleaning 2019-06-25 18:53:48 +02:00
hessian.irp.f Cleaning 2019-06-25 18:53:48 +02:00
mcscf_fock.irp.f More cleaning 2019-06-25 19:10:50 +02:00
natorb.irp.f More cleaning 2019-06-25 19:10:50 +02:00
NEED CAS-CI with no vvvv 2019-06-24 15:32:26 +02:00
neworbs.irp.f All programs merged. Iterations not working 2019-06-24 17:03:27 +02:00
README.rst CAS-CI with no vvvv 2019-06-24 15:32:26 +02:00
save_energy.irp.f CAS-CI works 2019-06-24 15:37:09 +02:00
tot_en.irp.f Cleaning 2019-06-25 18:53:48 +02:00

README.rst 

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casscf
======

|CASSCF| program with the CIPSI algorithm.