SUBROUTINE LJ_Potential(r,v,vp,vpp,sigma,depth) USE Numeric_Kinds_Module IMPLICIT NONE REAL(KIND=wp_kind), PARAMETER :: Four=4.d0 REAL(KIND=wp_kind) r, v, vp, vpp, sigma, depth IF((r/sigma)**12<1.d-10)THEN v=500 vp=-500 vpp=500 RETURN ENDIF v=Four*Depth*((sigma/r)**12-(sigma/r)**6) vp=Four*Depth*(-12*(sigma/r)**13+6*(sigma/r)**7)/sigma vpp=Four*Depth*(12*13*(sigma/r)**14-6*7*(sigma/r)**8)/sigma**2 RETURN ENDSUBROUTINE LJ_Potential