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50 lines
2.5 KiB
Fortran
50 lines
2.5 KiB
Fortran
module cfunctions
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use, intrinsic :: ISO_C_BINDING
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interface
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subroutine printcfglist(nint, ncfgs, cfglist) bind(C, name='printCFGList')
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import C_INT32_T, C_INT64_T
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integer(kind=C_INT32_T) :: nint
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integer(kind=C_INT32_T) :: ncfgs
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integer(kind=C_INT64_T) :: cfglist(nint,2,ncfgs)
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end subroutine printcfglist
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end interface
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interface
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subroutine getApqIJMatrixDims(Isomo, Jsomo, MS, rowsout, colsout) &
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bind(C, name='getApqIJMatrixDims')
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import C_INT32_T, C_INT64_T
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integer(kind=C_INT64_T),value,intent(in) :: Isomo ! CSFI
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integer(kind=C_INT64_T),value,intent(in) :: Jsomo ! CSFJ
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integer(kind=C_INT64_T),value,intent(in) :: MS ! Ms = 2*Spin
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integer(kind=C_INT32_T),intent(out):: rowsout
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integer(kind=C_INT32_T),intent(out):: colsout
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end subroutine getApqIJMatrixDims
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end interface
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interface
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subroutine getApqIJMatrixDriver(Isomo, Jsomo, orbp, orbq, &
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MS, NMO, CSFICSFJApqIJ, rowsmax, colsmax) bind(C, name='getApqIJMatrixDriverArrayInp')
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import C_INT32_T, C_INT64_T, C_DOUBLE
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integer(kind=C_INT64_T),value,intent(in) :: Isomo
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integer(kind=C_INT64_T),value,intent(in) :: Jsomo
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integer(kind=C_INT32_T),value,intent(in) :: orbp
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integer(kind=C_INT32_T),value,intent(in) :: orbq
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integer(kind=C_INT64_T),value,intent(in) :: MS
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integer(kind=C_INT64_T),value,intent(in) :: NMO
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integer(kind=C_INT32_T),intent(in) :: rowsmax
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integer(kind=C_INT32_T),intent(in) :: colsmax
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real (kind=C_DOUBLE ),intent(out) :: CSFICSFJApqIJ(rowsmax,colsmax)
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!integer(kind=C_INT32_T),dimension(rowApqIJ,colApqIJ) :: ApqIJ
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end subroutine getApqIJMatrixDriver
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end interface
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interface
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subroutine getCSFtoDETTransformationMatrix(Isomo,&
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MS, rowsmax, colsmax, csftodetmatrix) bind(C, name='convertCSFtoDetBasis')
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import C_INT32_T, C_INT64_T, C_DOUBLE
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integer(kind=C_INT64_T),value,intent(in) :: Isomo
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integer(kind=C_INT64_T),value,intent(in) :: MS
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integer(kind=C_INT32_T),intent(in) :: rowsmax
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integer(kind=C_INT32_T),intent(in) :: colsmax
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real (kind=C_DOUBLE ),intent(out) :: csftodetmatrix(rowsmax,colsmax)
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end subroutine getCSFtoDETTransformationMatrix
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end interface
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end module cfunctions
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