use calc_data
use comm_momo
real (kind=8) :: facd3, facd4, federmaus, adler,&
use calc_data
use comm_momo
real (kind=8) :: facd3, facd4, federmaus, adler,&
- Ecl,Egb,Epol,Fisocav,Elj,Fgb
+ Ecl,Egb,Epol,Fisocav,Elj,Fgb,debkap
! integer :: k
!c! Epol and Gpol analytical parameters
alphapol1 = alphapol(itypi,itypj)
! integer :: k
!c! Epol and Gpol analytical parameters
alphapol1 = alphapol(itypi,itypj)
- Egb = -(332.0d0 * Qij * eps_inout_fac) / Fgb
+ debkap=debaykap(itypi,itypj)
+ Egb = -(332.0d0 * Qij *&
+ (1.0/eps_in-dexp(-debkap*Fgb)/eps_out)) / Fgb
! print *,"EGB WTF",Qij,eps_inout_fac,Fgb,itypi,itypj,eps_in,eps_out
!c! Derivative of Egb is Ggb...
! print *,"EGB WTF",Qij,eps_inout_fac,Fgb,itypi,itypj,eps_in,eps_out
!c! Derivative of Egb is Ggb...
dFGBdR = ( Rhead * ( 2.0d0 - (0.5d0 * ee0) ) )/ ( 2.0d0 * Fgb )
dGGBdR = dGGBdFGB * dFGBdR
!c!-------------------------------------------------------------------
dFGBdR = ( Rhead * ( 2.0d0 - (0.5d0 * ee0) ) )/ ( 2.0d0 * Fgb )
dGGBdR = dGGBdFGB * dFGBdR
!c!-------------------------------------------------------------------