KIM API V2
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Functions/Subroutines | |
subroutine | mi_opbc_cluster_neighborlist (half, numberOfParticles, coords, rcut, boxSideLengths, neighObject) |
subroutine | neigh_pure_cluster_neighborlist (half, numberOfParticles, coords, cutoff, neighObject) |
subroutine | neigh_rvec_cluster_neighborlist (half, numberOfParticles, coords, cutoff, neighObject) |
subroutine | create_fcc_configuration (FCCspacing, nCellsPerSide, periodic, coords, MiddlePartId) |
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 349 of file ex_test_Ar_fcc_cluster_fortran.F90.
subroutine mod_utility::mi_opbc_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) | rcut, | ||
real(c_double), dimension(3), intent(in) | boxSideLengths, | ||
type(neighobject_type), intent(inout) | neighObject | ||
) |
Definition at line 182 of file ex_test_Ar_fcc_cluster_fortran.F90.
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 238 of file ex_test_Ar_fcc_cluster_fortran.F90.
subroutine mod_utility::neigh_rvec_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 287 of file ex_test_Ar_fcc_cluster_fortran.F90.