Documentation for module qs_integrate_potential_product

Build up the plane wave density by collocating the primitive Gaussian functions (pgf).

source: qs_integrate_potential_product.F
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public Subroutines/Functions:

computes matrix elements corresponding to a given potential

SUBROUTINEintegrate_v_rspace(v_rspace, hmat, hmat_kp, pmat, pmat_kp, qs_env, calculate_forces, force_adm, ispin, compute_tau, gapw, basis_type, pw_env_external, task_list_external)

computes matrix elements corresponding to a given potential

Arguments:
TYPE(pw_p_type)
:: v_rspace ...
INTENT(inout),
OPTIONAL
:: hmat ...
OPTIONAL, POINTER
:: hmat_kp(:) ...
INTENT(in),
OPTIONAL
:: pmat ...
OPTIONAL, POINTER
:: pmat_kp(:) ...
POINTER
:: qs_env ...
LOGICAL,
INTENT(in)
:: calculate_forces ...
LOGICAL,
INTENT(in),
OPTIONAL
:: force_adm whether force of in aux. dens. matrix is calculated
INTEGER,
INTENT(in),
OPTIONAL
:: ispin ...
LOGICAL,
INTENT(in),
OPTIONAL
:: compute_tau ...
LOGICAL,
INTENT(in),
OPTIONAL
:: gapw ...
CHARACTER(*),
INTENT(in),
OPTIONAL
:: basis_type ...
OPTIONAL, POINTER
:: pw_env_external ...
OPTIONAL, POINTER
:: task_list_external ...