quantum_package/src/Hartree_Fock/hartree_fock.ezfio_config

mirror of https://github.com/LCPQ/quantum_package synced 2024-06-28 08:02:20 +02:00
hartree_fock
  thresh_scf       double precision
  n_it_scf_max     integer
  energy           double precision
  guess            character*(32)
Added Hartree-Fock in MO basis 2014-04-23 22:10:36 +02:00			`hartree_fock`
			`thresh_scf double precision`
			`n_it_scf_max integer`
save energy in ezfio 2015-01-06 19:12:17 +01:00			`energy double precision`
Added Huckel guess and fixed compatibility with new EMSL 2015-03-20 11:21:26 +01:00			`guess character*(32)`
Added Hartree-Fock in MO basis 2014-04-23 22:10:36 +02:00