Révision 9 src/Egrad.f90

Egrad.f90 (revision 9)
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     END DO
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     DEALLOCATE(GradTmp)
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  CASE ("CART","HYBRID")
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! PFL 2013 Feb 
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! We could think of just doing:
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!     Grad=GradCart
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! however, this does not work as implicitly we have :
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! Grad(Nat,3)  BUT GradCar(3,Nat)
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! So we have to use reshape :-(
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     Grad=reshape(reshape(GradCart,(/3,Nat/),ORDER=(/2,1/)),(/3*Nat/))
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     Grad=GradCart
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  CASE DEFAULT
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     WRITE(*,*) "Coord=",AdjustL(Trim(COORD))," not yet implemented in Egradients. STOP"
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     STOP

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