| 1 |
|
!! Interfaces for C programs to module.... |
| 2 |
|
|
| 3 |
< |
subroutine initFortranFF(use_RF_c, thisStat) |
| 3 |
> |
subroutine initFortranFF(correctionMethod, dampingAlpha, thisStat) |
| 4 |
|
use doForces, ONLY: init_FF |
| 5 |
< |
logical, intent(in) :: use_RF_c |
| 5 |
> |
use definitions, ONLY : dp |
| 6 |
> |
|
| 7 |
> |
integer, intent(in) :: correctionMethod |
| 8 |
> |
real(kind=dp), intent(in) :: dampingAlpha |
| 9 |
> |
integer, intent(out) :: thisStat |
| 10 |
> |
logical :: use_RF |
| 11 |
> |
integer :: correction |
| 12 |
> |
real(kind=dp) :: alpha |
| 13 |
|
|
| 14 |
< |
integer, intent(out) :: thisStat |
| 15 |
< |
call init_FF(use_RF_c, thisStat) |
| 14 |
> |
correction = correctionMethod |
| 15 |
> |
alpha = dampingAlpha |
| 16 |
|
|
| 17 |
+ |
call init_FF(correction, alpha, thisStat) |
| 18 |
+ |
|
| 19 |
|
end subroutine initFortranFF |
| 20 |
|
|
| 21 |
|
subroutine doForceloop(q, q_group, A, eFrame, f, t, tau, pot, & |
| 22 |
|
do_pot_c, do_stress_c, error) |
| 23 |
< |
|
| 23 |
> |
|
| 24 |
|
use definitions, ONLY: dp |
| 25 |
|
use simulation |
| 26 |
|
use doForces, ONLY: do_force_loop |
| 36 |
|
real ( kind = dp ), dimension(3,nLocal) :: f |
| 37 |
|
!! Torsion array provided by C, dimensioned by getNlocal |
| 38 |
|
real( kind = dp ), dimension(3,nLocal) :: t |
| 39 |
< |
|
| 39 |
> |
|
| 40 |
|
!! Stress Tensor |
| 41 |
|
real( kind = dp), dimension(9) :: tau |
| 42 |
|
real ( kind = dp ) :: pot |
| 43 |
|
logical ( kind = 2) :: do_pot_c, do_stress_c |
| 44 |
|
integer :: error |
| 45 |
< |
|
| 45 |
> |
|
| 46 |
|
call do_force_loop(q, q_group, A, eFrame, f, t, tau, pot, & |
| 47 |
|
do_pot_c, do_stress_c, error) |
| 48 |
< |
|
| 48 |
> |
|
| 49 |
|
end subroutine doForceloop |
| 50 |
+ |
|
