kim-api  2.1.4-git+v2.1.3-git-1-g7847914a.GNU
An Application Programming Interface (API) for the Knowledgebase of Interatomic Models (KIM).
Data Types | Modules | Functions/Subroutines
utility_forces_numer_deriv.f90 File Reference

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Data Types

type  mod_neighborlist::neighobject_type
 

Modules

module  error
 
module  mod_neighborlist
 
module  mod_utilities
 

Functions/Subroutines

recursive subroutine error::my_error (message)
 
recursive subroutine error::my_warning (message)
 
recursive subroutine, public mod_neighborlist::get_neigh (data_object, number_of_neighbor_lists, cutoffs, neighbor_list_index, request, numnei, pnei1part, ierr)
 
recursive subroutine mod_utilities::check_model_compatibility (compute_arguments_handle, forces_optional, model_is_compatible, ierr)
 
recursive subroutine mod_utilities::get_model_supported_species (model_handle, max_species, model_species, num_species, ier)
 
recursive subroutine mod_utilities::update_neighborlist (DIM, N, coords, cutoff, cutpad, do_update_list, coordsave, neighObject, ierr)
 
recursive subroutine mod_utilities::neigh_pure_cluster_neighborlist (half, numberOfParticles, coords, cutoff, neighObject)
 
recursive subroutine mod_utilities::create_fcc_configuration (FCCspacing, nCellsPerSide, periodic, coords, MiddlePartId)
 
recursive subroutine mod_utilities::compute_numer_deriv (partnum, dir, model_handle, compute_arguments_handle, DIM, N, coords, cutoff, cutpad, energy, do_update_list, coordsave, neighObject, deriv, deriv_err, ierr)
 
real(c_double) recursive function dfridr (h, err)
 
program vc_forces_numer_deriv
 

Function/Subroutine Documentation

◆ dfridr()

real(c_double) recursive function compute_numer_deriv::dfridr ( real(c_double), intent(inout)  h,
real(c_double), intent(out)  err 
)

Definition at line 635 of file utility_forces_numer_deriv.f90.

◆ vc_forces_numer_deriv()

program vc_forces_numer_deriv ( )

Definition at line 750 of file utility_forces_numer_deriv.f90.