iphi_nucl_end,iphid_nucl_start,iphid_nucl_end,&
ibondp_nucl_start,ibondp_nucl_end,ithet_nucl_start,ithet_nucl_end,&
loc_start_nucl,loc_end_nucl
+ integer :: icatb_start,icatb_end
integer,dimension(:),allocatable :: ibond_displ,ibond_count,&
ithet_displ,ithet_count,iphi_displ,iphi_count,iphi1_displ,&
iphi1_count,ivec_displ,ivec_count,iset_displ,iset_count,&
newcontlistcatscangfi,newcontlistcatscangfj,&
newcontlistcatscangfk,&
newcontlistcatscangti,newcontlistcatscangtj,&
- newcontlistcatscangtk,newcontlistcatscangtl
+ newcontlistcatscangtk,newcontlistcatscangtl,&
+ newcontlistcatcatnormi,newcontlistcatcatnormj
g_ilist_catptran,g_ilist_catscang,g_ilist_catscangf,g_ilist_catscangt,&
g_listcatscang_start,g_listcatscang_end,&
g_listcatscangf_start,g_listcatscangf_end,&
- g_listcatscangt_start,g_listcatscangt_end
+ g_listcatscangt_start,g_listcatscangt_end,&
+ g_listcatcatnorm_start,g_listcatcatnorm_end,g_ilist_catcatnorm
! MARTINI FORCE FIELD
! buflipbot, bufliptop,bordlipbot,bordliptop,lipbufthick,lipthick
!-------------------------------------------------------------------------
real(kind=8),dimension(3,70000) :: ea
+#ifdef LBFGS
+ character*9 statusbf
+ integer niter,nfun,ncalls
+#endif
! real(kind=8) :: buftubebot, buftubetop,bordtubebot,bordtubetop,tubebufthick
end module energy_data