| 1 |
gezelter |
1948 |
subroutine newEAMtype(lattice_constant,eam_nrho,eam_drho,eam_nr,& |
| 2 |
|
|
eam_dr,rcut,eam_Z_r,eam_rho_r,eam_F_rho,& |
| 3 |
|
|
eam_ident,status) |
| 4 |
|
|
use definitions, ONLY : dp |
| 5 |
|
|
use eam, ONLY : module_newEAMtype => newEAMtype |
| 6 |
|
|
real (kind = dp ) :: lattice_constant |
| 7 |
|
|
integer :: eam_nrho |
| 8 |
|
|
real (kind = dp ) :: eam_drho |
| 9 |
|
|
integer :: eam_nr |
| 10 |
|
|
real (kind = dp ) :: eam_dr |
| 11 |
|
|
real (kind = dp ) :: rcut |
| 12 |
|
|
real (kind = dp ), dimension(eam_nr) :: eam_Z_r |
| 13 |
|
|
real (kind = dp ), dimension(eam_nr) :: eam_rho_r |
| 14 |
|
|
real (kind = dp ), dimension(eam_nrho) :: eam_F_rho |
| 15 |
|
|
integer :: eam_ident |
| 16 |
|
|
integer :: status |
| 17 |
|
|
|
| 18 |
|
|
|
| 19 |
|
|
call module_newEAMtype(lattice_constant,eam_nrho,eam_drho,eam_nr,& |
| 20 |
|
|
eam_dr,rcut,eam_Z_r,eam_rho_r,eam_F_rho,& |
| 21 |
|
|
eam_ident,status) |
| 22 |
|
|
|
| 23 |
|
|
end subroutine newEAMtype |
| 24 |
chuckv |
2169 |
|
| 25 |
|
|
subroutine destroyEAMTypes() |
| 26 |
|
|
use eam, ONLY: module_destroyEAMTypes =>destroyEAMTypes |
| 27 |
|
|
|
| 28 |
|
|
call module_destroyEAMTypes() |
| 29 |
|
|
|
| 30 |
|
|
end subroutine destroyEAMTypes |
