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