1004 |
|
enddo |
1005 |
|
|
1006 |
|
end subroutine eam_spline |
1007 |
– |
|
1008 |
– |
|
1009 |
– |
|
1007 |
|
|
1008 |
|
end module eam |
1012 |
– |
|
1013 |
– |
subroutine newEAMtype(lattice_constant,eam_nrho,eam_drho,eam_nr,& |
1014 |
– |
eam_dr,rcut,eam_Z_r,eam_rho_r,eam_F_rho,& |
1015 |
– |
eam_ident,status) |
1016 |
– |
use definitions, ONLY : dp |
1017 |
– |
use eam, ONLY : module_newEAMtype => newEAMtype |
1018 |
– |
real (kind = dp ) :: lattice_constant |
1019 |
– |
integer :: eam_nrho |
1020 |
– |
real (kind = dp ) :: eam_drho |
1021 |
– |
integer :: eam_nr |
1022 |
– |
real (kind = dp ) :: eam_dr |
1023 |
– |
real (kind = dp ) :: rcut |
1024 |
– |
real (kind = dp ), dimension(eam_nr) :: eam_Z_r |
1025 |
– |
real (kind = dp ), dimension(eam_nr) :: eam_rho_r |
1026 |
– |
real (kind = dp ), dimension(eam_nrho) :: eam_F_rho |
1027 |
– |
integer :: eam_ident |
1028 |
– |
integer :: status |
1029 |
– |
|
1030 |
– |
|
1031 |
– |
call module_newEAMtype(lattice_constant,eam_nrho,eam_drho,eam_nr,& |
1032 |
– |
eam_dr,rcut,eam_Z_r,eam_rho_r,eam_F_rho,& |
1033 |
– |
eam_ident,status) |
1034 |
– |
|
1035 |
– |
end subroutine newEAMtype |