Révision 8 src/ConvertBakerInternal_cart.f90

ConvertBakerInternal_cart.f90 (revision 8)
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  ! Internal coordinates IntCoord(NCoord) is to be converted
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  ! into Cartesian coordinates x(Nat),y(Nat),z(Nat).
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  use Path_module, only : Nat,AtName,IntCoordI,XyzGeomI,BMat_BakerT,NPrim,&
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       BTransInv,BBT,BBT_inv,BprimT,a0,ScanCoord,Coordinate,&
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       Xprimitive,Pi,NGeomI,IntCoordF,BTransInv_local,Xprimitive_t,&
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       Symmetry_elimination,NCoord,UMat_local
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  use Path_module, only : Nat,AtName,BMat_BakerT,NPrim,&
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       BBT,BBT_inv,BprimT,ScanCoord,Coordinate,&
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       BTransInv_local,Xprimitive_t,&
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       NCoord,UMat_local
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  ! UMat_local is allocated in Calc_baker.f90
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  ! XyzGeomI(NGeomI,3,Nat),BMat_BakerT(3*Nat,NCoord),a0=0.529177249d0
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