MPI-SCATCI  2.0
An MPI version of SCATCI
CSF_module.F90 File Reference

Go to the source code of this file.

Data Types

type  csf_module::csfmanager
 Configuration state function factory. More...
 
type  csf_module::csforbital
 Single determinant. More...
 
type  csf_module::csfobject
 Single configuration state function. More...
 

Modules

module  csf_module
 CSF module.
 

Functions/Subroutines

subroutine csf_module::read_csf_body (this, option, orbital)
 Reads the CSFs. More...
 
subroutine csf_module::finalize_manager (this)
 Release all memory used by the instance. More...
 
subroutine csf_module::create_csfs (this, CSF, orbital_sequence, num_ci_target_sym, continuum_projection)
 This subroutine seperates out the CSFs and creates individual objects out of them. More...
 
subroutine csf_module::print_csf (this)
 
subroutine csf_module::print_all_csfs (this, csf)
 
subroutine csf_module::destroy_orbitals (this)
 
subroutine csf_module::compare_excitations_fast (this, that, num_electrons, coeff, num_excitations, output_dtrs)
 
integer function csf_module::does_it_obey_slater (this, that)
 
subroutine csf_module::toggle_determinant (this, det0, det1, Nints)
 
integer function csf_module::pzero (det1, det2, Nint)
 
elemental integer function csf_module::get_beta (det)
 
elemental integer function csf_module::get_alpha (det)
 
integer function csf_module::n_excitations (det1, det2, Nint)
 
subroutine csf_module::get_excitation (det1, det2, exc, degree, phase, Nint)
 
subroutine csf_module::get_single_excitation (det1, det2, exc, phase, Nint)
 
subroutine csf_module::get_double_excitation (det1, det2, exc, phase, Nint)
 
subroutine csf_module::assign_pointer (targ, point, Nints)
 
subroutine csf_module::get_determinants (this, dtrs, nelec)
 
recursive subroutine csf_module::qsortdets (A, phase)
 
subroutine csf_module::partition (A, marker, phase)