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!! Interfaces for C programs to module.... |
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subroutine initFortranFF(use_RF_c, use_UW_c, use_DW_c, thisStat) |
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subroutine initFortranFF(correctionMethod, thisStat) |
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use doForces, ONLY: init_FF |
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integer, intent(in) :: use_RF_c |
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integer, intent(in) :: use_UW_c |
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integer, intent(in) :: use_DW_c |
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use definitions, ONLY : dp |
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integer, intent(in) :: correctionMethod |
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integer, intent(out) :: thisStat |
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logical :: use_RF, use_UW, use_DW |
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integer :: correction |
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use_RF = (use_RF_c .ne. 0) |
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use_UW = (use_UW_c .ne. 0) |
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use_DW = (use_DW_c .ne. 0) |
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correction = correctionMethod |
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call init_FF(correction, thisStat) |
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call init_FF(use_RF, use_UW, use_DW, thisStat) |
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end subroutine initFortranFF |
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subroutine doForceloop(q, q_group, A, eFrame, f, t, tau, pot, & |
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use definitions, ONLY: dp |
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use simulation |
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use doForces, ONLY: do_force_loop |
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#define __FORTRAN90 |
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#include "UseTheForce/DarkSide/fInteractionMap.h" |
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!! Position array provided by C, dimensioned by getNlocal |
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real ( kind = dp ), dimension(3, nLocal) :: q |
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!! molecular center-of-mass position array |
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!! Stress Tensor |
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real( kind = dp), dimension(9) :: tau |
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real ( kind = dp ) :: pot |
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real ( kind = dp ),dimension(POT_ARRAY_SIZE) :: pot |
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logical ( kind = 2) :: do_pot_c, do_stress_c |
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integer :: error |
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