MPI-SCATCI  2.0
An MPI version of SCATCI
Target_RMat_CI_module.f90 File Reference

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Data Types

type  target_rmat_ci_module::target_rmat_ci
 This class handles the storage of target CI coefficients. More...
 

Modules

module  target_rmat_ci_module
 Target Rmat CI module.
 

Functions/Subroutines

subroutine target_rmat_ci_module::initialize_cirmat (this, set, nstat, num_csfs, phase_, core_energy)
 Sets up and allocates eigenvalues and eigenvectors. More...
 
subroutine target_rmat_ci_module::print_cirmat (this)
 Prints the eigen-energies of the target states stored. More...
 
subroutine target_rmat_ci_module::print_vecs (this)
 Print vectors to standard output. More...
 
real(wp) function target_rmat_ci_module::get_coefficient_ci (this, target_state, configuration_idx)
 Get the specific coefficient for a target state and configuration. More...
 
subroutine, public target_rmat_ci_module::read_ci_mat (option, cirmats)
 Reads the target coefficients from file. More...
 
subroutine target_rmat_ci_module::store_eigenvalues (this, eigenvalues, diagonals, num_eigenpairs, vec_dimen)
 Save eigenvalues from diagonalizer. More...
 
subroutine target_rmat_ci_module::store_eigenvector (this, eigenvector, vec_dimen)
 Save eigenvector from diagonalizer. More...
 
subroutine target_rmat_ci_module::export_eigenvalues (this, eigenvalues, diagonals, num_eigenpairs, vec_dimen, ei, iphz)
 To be overriden by derived types. More...
 
subroutine target_rmat_ci_module::modify_diagonal (this, value)
 Dummy subroutine. More...
 
subroutine target_rmat_ci_module::modify_l2_diagonal (this, value)
 Dummy subroutine. More...