kim-api  2.1.4-git+v2.1.3-git-3-g4c859c7f.GNU
An Application Programming Interface (API) for the Knowledgebase of Interatomic Models (KIM).
Functions/Subroutines
mod_utility Module Reference

Functions/Subroutines

recursive subroutine neigh_pure_cluster_neighborlist (half, numberOfParticles, coords, cutoff, neighObject)
 
recursive subroutine create_fcc_configuration (FCCspacing, nCellsPerSide, periodic, coords, MiddlePartId)
 

Function/Subroutine Documentation

◆ create_fcc_configuration()

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.

◆ neigh_pure_cluster_neighborlist()

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.