KIM API V2
Data Types | Modules | Functions/Subroutines
ex_test_Ar_fcc_cluster_fortran.F90 File Reference

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Data Types

type  mod_neighborlist::neighobject_type
 

Modules

module  error
 
module  mod_neighborlist
 

Functions/Subroutines

subroutine error::my_error (message, line, file)
 
subroutine error::my_warning (message, line, file)
 
subroutine, public mod_neighborlist::get_neigh (data_object, neighbor_list_index, request, numnei, pnei1part, ierr)
 
subroutine neigh_pure_cluster_neighborlist (half, numberOfParticles, coords, cutoff, neighObject)
 
subroutine create_fcc_configuration (FCCspacing, nCellsPerSide, periodic, coords, MiddlePartId)
 
program ex_test_ar_fcc_cluster
 

Function/Subroutine Documentation

◆ create_fcc_configuration()

subroutine 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 202 of file ex_test_Ar_fcc_cluster_fortran.F90.

◆ ex_test_ar_fcc_cluster()

program ex_test_ar_fcc_cluster ( )

Definition at line 314 of file ex_test_Ar_fcc_cluster_fortran.F90.

◆ neigh_pure_cluster_neighborlist()

subroutine 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 141 of file ex_test_Ar_fcc_cluster_fortran.F90.