Révision 8 src/egrad_test_2D.f90

egrad_test_2D.f90 (revision 8)
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      function E2D(natoms,Xyz)
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        use Path_module, only : order
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        use Io_module, only : IOTMP
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   IMPLICIT NONE
......
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      REAL(KREAL), save :: Data(501,501)
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      INTEGER(KINT) :: i,j
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      REAL(KREAL) :: dCH,dNH,dCN
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!      real(KREAL) :: autoA,autoeV
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      real(KREAL) :: autoeV
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!      parameter (autoA=0.52917715d0)
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      parameter (autoeV=27.21183d0)
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      real(KREAL) :: r1, r2
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      LOGICAL :: Debug
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      LOGICAL, SAVE :: First=.TRUE.
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