kim-api 2.4.1+AppleClang.AppleClang.GNU
An Application Programming Interface (API) for the Knowledgebase of Interatomic Models (KIM).
 
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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 219 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 153 of file ex_test_Ar_fcc_cluster_fortran.f90.