quantum_package/src/Full_CI/full_ci.ezfio_config

full_ci
  n_det_max_fci  integer 
  pt2_max        double precision
  do_pt2_end     logical
  energy         double precision
  energy_pt2     double precision
  var_pt2_ratio  double precision
add CIS full for starting with CIS wave function 2014-07-09 00:41:08 +02:00			`full_ci`
save energy in ezfio 2015-01-06 19:12:17 +01:00			`n_det_max_fci integer`
			`pt2_max double precision`
			`do_pt2_end logical`
			`energy double precision`
			`energy_pt2 double precision`
Added var_pt2_ratio program to stop at a constant ratio variational/(variational+PT2) 2015-02-23 12:37:43 +01:00			`var_pt2_ratio double precision`