[ViewVC] Diff of: group/trunk/OOPSE-4/src/UseTheForce/DarkSide/eam.F90

Comparing trunk/OOPSE-4/src/UseTheForce/DarkSide/eam.F90 (file contents):
Revision 2721 by gezelter, Mon Apr 17 21:49:12 2006 UTC vs.
Revision 2722 by gezelter, Thu Apr 20 18:24:24 2006 UTC

#	Line 186 \| Line 186 \| contains
186		eam_phi_r(j) = 331.999296E0_DP * (eam_Z_r(j)**2) / rvals(j)
187		enddo
188
189	<	call newSpline(EAMList%EAMParams(current)%rho, rvals, rhovals, &
190	<	0.0d0, 0.0d0, .true.)
191	<	call newSpline(EAMList%EAMParams(current)%Z, rvals, eam_Z_r, &
192	<	0.0d0, 0.0d0, .true.)
193	<	call newSpline(EAMList%EAMParams(current)%F, rhovals, eam_F_rho, &
194	<	0.0d0, 0.0d0, .true.)
195	<	call newSpline(EAMList%EAMParams(current)%phi, rvals, eam_phi_r, &
196	<	0.0d0, 0.0d0, .true.)
189	>	call newSpline(EAMList%EAMParams(current)%rho, rvals, eam_rho_r, .true.)
190	>	call newSpline(EAMList%EAMParams(current)%Z, rvals, eam_Z_r, .true.)
191	>	call newSpline(EAMList%EAMParams(current)%F, rhovals, eam_F_rho, .true.)
192	>	call newSpline(EAMList%EAMParams(current)%phi, rvals, eam_phi_r, .true.)
193		end subroutine newEAMtype
194
195
#	Line 406 \| Line 402 \| contains
402		rho(atom1) = rho(atom1) + rho_j_at_i
403		#endif
404		endif
409	–
405		end subroutine calc_eam_prepair_rho
406
407
#	Line 449 \| Line 444 \| contains
444		frho(atom) = u
445		dfrhodrho(atom) = u1
446		pot = pot + u
447	+
448		enddo
449
450		#ifdef IS_MPI

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