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subroutine setFortranSim(setThisSim, CnGlobal, CnLocal, c_idents, & |
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CnExcludes, Cexcludes, CnOneTwo, ConeTwo, CnOneThree, ConeThree, & |
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CnOneFour, ConeFour, CmolMembership, Cmfact, CnGroups, & |
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CglobalGroupMembership, status) |
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use definitions |
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use simulation |
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|
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type (simtype) :: setThisSim |
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integer, intent(inout) :: CnGlobal, CnLocal |
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integer, dimension(CnLocal),intent(inout) :: c_idents |
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|
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integer :: CnExcludes |
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integer, dimension(2,CnExcludes), intent(inout) :: Cexcludes |
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|
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integer :: CnOneTwo |
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integer, dimension(2,CnOneTwo), intent(inout) :: ConeTwo |
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|
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integer :: CnOneThree |
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integer, dimension(2,CnOneThree), intent(inout) :: ConeThree |
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|
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integer :: CnOneFour |
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integer, dimension(2,CnOneFour), intent(inout) :: ConeFour |
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|
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integer, dimension(CnGlobal),intent(inout) :: CmolMembership |
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!! Result status, success = 0, status = -1 |
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integer, intent(inout) :: status |
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|
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!! mass factors used for molecular cutoffs |
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real ( kind = dp ), dimension(CnLocal) :: Cmfact |
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integer, intent(in):: CnGroups |
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integer, dimension(CnGlobal), intent(inout):: CglobalGroupMembership |
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|
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call SimulationSetup(setThisSim, CnGlobal, CnLocal, c_idents, & |
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CnExcludes, Cexcludes, CnOneTwo, ConeTwo, CnOneThree, ConeThree, & |
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CnOneFour, ConeFour, CmolMembership, Cmfact, CnGroups, & |
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CglobalGroupMembership, status) |
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|
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end subroutine setFortranSim |
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|
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subroutine setFortranBox(cHmat, cHmatInv, cBoxIsOrthorhombic) |
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use simulation, only : setBox |
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use definitions |
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real(kind=dp), dimension(3,3) :: cHmat, cHmatInv |
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integer :: cBoxIsOrthorhombic |
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|
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call setBox(cHmat, cHmatInv, cBoxIsOrthorhombic) |
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|
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end subroutine setFortranBox |
