| 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 |
