kim-api
2.0.2+v2.0.2.GNU
An Application Programming Interface (API) for the Knowledgebase of Interatomic Models (KIM).
|
Functions/Subroutines | |
recursive subroutine | neigh_pure_cluster_neighborlist (half, numberOfParticles, coords, cutoff, neighObject) |
recursive subroutine | create_fcc_configuration (FCCspacing, nCellsPerSide, periodic, coords, MiddlePartId) |
recursive subroutine mod_utility::create_fcc_configuration | ( | real(c_double), intent(in) | FCCspacing, |
integer(c_int), intent(in) | nCellsPerSide, | ||
logical, intent(in) | periodic, | ||
real(c_double), dimension(3,*), intent(out) | coords, | ||
integer(c_int), intent(out) | MiddlePartId | ||
) |
Definition at line 225 of file ex_test_Ar_fcc_cluster_fortran.f90.
recursive subroutine mod_utility::neigh_pure_cluster_neighborlist | ( | logical, intent(in) | half, |
integer(c_int), intent(in) | numberOfParticles, | ||
real(c_double), dimension(3,numberofparticles), intent(in) | coords, | ||
real(c_double), intent(in) | cutoff, | ||
type(neighobject_type), intent(inout) | neighObject | ||
) |
Definition at line 159 of file ex_test_Ar_fcc_cluster_fortran.f90.