Révision 8 src/Calc_baker.f90

Calc_baker.f90 (revision 8)
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  ! v1.0
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  ! We use only one geometry
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  !     
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  Use Path_module, only : max_Z,NMaxL,Nom,MaxFroz,NFroz,Pi,Massat,a0,BMat_BakerT, &
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  Use Path_module, only : max_Z,NMaxL,Pi,Massat,BMat_BakerT, &
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       Nat,NCoord,XyzGeomI,NGeomI,NGeomF,UMat,NPrim,BTransInv, &
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       IntCoordI,Coordinate,CurrentCoord,ScanCoord,BprimT,BBT, &
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       BBT_inv,Xprimitive,XPrimitiveF,Symmetry_elimination,UMat_local, &
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       BBT_inv,Xprimitive,XPrimitiveF,UMat_local, &
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       BTransInv_local, UMatF,BTransInvF,      &
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       indzmat, dzdc,renum,order,OrderInv
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  ! BMat_BakerT(3*Nat,NCoord), NCoord=3*Nat or NFree=3*Nat-6-Symmetry_elimination

Formats disponibles : Unified diff