isdf_utils.F90 File Reference

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Modules
module	isdf_utils_oct_m

Functions/Subroutines
subroutine, public	isdf_utils_oct_m::output_matrix (namespace, fname, matrix)
	Helper routine to output a 2D matrix. More...
subroutine, public	isdf_utils_oct_m::isdf_potential (namespace, poisson_solver, isdf_vectors, V_r_nu)
	Compute the effective potential in the ISDF vector basis. More...
integer function, public	isdf_utils_oct_m::local_number_of_states (st, max_state)
	Number of states contributing to the expansion, local to current process. More...
subroutine, public	isdf_utils_oct_m::gather_psi_mu_over_states (st, psi_mu, psi_global)
	Gather state-distributed psi from multiple processes. More...
subroutine, public	isdf_utils_oct_m::output_psi_mu_for_all_states (namespace, st, max_state, psi_mu)
	Output the gathered psi_mu for all states, such that the matrix is the same irregardless of state parallelism. More...

Variables
integer, parameter, private	isdf_utils_oct_m::ik = 1
	All molecular calculations performed at the Gamma-point. More...