source/wham/src-HCD-5D/COMMON.CONTMAT

   1 C Change 12/1/95 - common block CONTACTS1 included.
   2       common /contacts1/ facont(maxconts,maxres),
   3      &                  gacont(3,maxconts,maxres),
   4      &                  num_cont(maxres),jcont(maxconts,maxres)
   5 C 12/26/95 - H-bonding contacts
   6       double precision gacontp_hb1,gacontp_hb2,gacontp_hb3,gacont_hbr,
   7      & gacontm_hb1,gacontm_hb2,gacontm_hb3,grij_hb_cont,facont_hb,
   8      & ees0p,ees0m,d_cont
   9       integer num_cont_hb,jcont_hb
  10       common /contacts_hb/
  11      &  gacontp_hb1(3,maxconts,maxres),gacontp_hb2(3,maxconts,maxres),
  12      &  gacontp_hb3(3,maxconts,maxres),
  13      &  gacontm_hb1(3,maxconts,maxres),gacontm_hb2(3,maxconts,maxres),
  14      &  gacontm_hb3(3,maxconts,maxres),
  15      &  gacont_hbr(3,maxconts,maxres),
  16      &  grij_hb_cont(3,maxconts,maxres),
  17      &  facont_hb(maxconts,maxres),ees0p(maxconts,maxres),
  18      &  ees0m(maxconts,maxres),d_cont(maxconts,maxres),
  19      &  num_cont_hb(maxres),jcont_hb(maxconts,maxres)
  20 C 9/23/99 Added improper rotation matrices and matrices of dipole-dipole
  21 C         interactions
  22 c 7/25/08 Commented out; not needed when cumulants used
  23 C Interactions of pseudo-dipoles generated by loc-el interactions.
  24 c      double precision dip,dipderg,dipderx
  25 c      common /dipint/ dip(4,maxconts,maxres),dipderg(4,maxconts,maxres),
  26 c     &  dipderx(3,5,4,maxconts,maxres)
  27 C 12/13/2008 (again Poland-Jaruzel war anniversary)
  28 C   RE: Parallelization of 4th and higher order loc-el correlations
  29       integer ncont_sent,ncont_recv,iint_sent,iisent_local,
  30      &  itask_cont_from,itask_cont_to,ntask_cont_from,ntask_cont_to,
  31      &  nat_sent,iat_sent,iint_sent_local
  32       integer iturn3_sent,iturn4_sent,iturn3_sent_local,
  33      &  iturn4_sent_local
  34       common /contdistrib/ ncont_sent(maxres),ncont_recv(maxres),
  35      &  iint_sent(4,maxres,maxres),iint_sent_local(4,maxres,maxres),
  36      &  nat_sent,iat_sent(maxres),itask_cont_from(0:max_fg_procs-1),
  37      &  itask_cont_to(0:max_fg_procs-1),ntask_cont_from,ntask_cont_to,
  38      &  iturn3_sent(4,maxres),iturn4_sent(4,maxres),
  39      &  iturn3_sent_local(4,maxres),iturn4_sent_local(4,maxres)