fcfe46011c54febcf86f61bcccc60fa6b9f03184
[unres.git] / source / unres / src_MD-M / COMMON.DERIV
1       double precision dcdv,dxdv,dxds,gradx,gradc,gvdwc,gelc,gelc_long
2      & gvdwpp,gel_loc,gel_loc_long,gvdwc_scpp,gliptranc,gliptranx,
3      & gradx_scp,gvdwc_scp,ghpbx,ghpbc,gloc,gloc_x,dtheta,dphi,dalpha,
4      & domega,gscloc,gsclocx,gradcorr,gradcorr_long,gradcorr5_long,
5      & gradcorr6_long,gcorr6_turn_long,gvdwx,gshieldx,gradafm
6       integer nfl,icg
7       common /derivat/ dcdv(6,maxdim),dxdv(6,maxdim),dxds(6,maxres),
8      & gradx(3,-1:maxres,2),gradc(3,-1:maxres,2),gvdwx(3,-1:maxres),
9      & gvdwc(3,-1:maxres),gelc(3,-1:maxres),gelc_long(3,-1:maxres),
10      & gvdwpp(3,-1:maxres),gvdwc_scpp(3,-1:maxres),
11      & gliptranc(3,-1:maxres),
12      & gliptranx(3,-1:maxres),
13      & gshieldx(3,-1:maxres), gshieldc(3,-1:maxres),
14      & gshieldc_loc(3,-1:maxres),
15      & gshieldx_ec(3,-1:maxres), gshieldc_ec(3,-1:maxres),
16      & gshieldc_loc_ec(3,-1:maxres),
17      & gshieldx_t3(3,-1:maxres), gshieldc_t3(3,-1:maxres),
18      & gshieldc_loc_t3(3,-1:maxres),
19      & gshieldx_t4(3,-1:maxres), gshieldc_t4(3,-1:maxres),
20      & gshieldc_loc_t4(3,-1:maxres),
21      & gshieldx_ll(3,-1:maxres), gshieldc_ll(3,-1:maxres),
22      & gshieldc_loc_ll(3,-1:maxres),
23      & gradafm(3,-1:maxres),
24      & gradx_scp(3,-1:maxres),gvdwc_scp(3,-1:maxres),
25      & ghpbx(3,-1:maxres),
26      & ghpbc(3,-1:maxres),gloc(maxvar,2),gradcorr(3,-1:maxres),
27      & gradcorr_long(3,-1:maxres),gradcorr5_long(3,-1:maxres),
28      & gradcorr6_long(3,-1:maxres),gcorr6_turn_long(3,-1:maxres),
29      & gradxorr(3,-1:maxres),gradcorr5(3,-1:maxres),
30      & gradcorr6(3,-1:maxres),
31      & gloc_x(maxvar,2),gel_loc(3,-1:maxres),gel_loc_long(3,-1:maxres),
32      & gcorr3_turn(3,-1:maxres),
33      & gcorr4_turn(3,-1:maxres),gcorr6_turn(3,-1:maxres),
34      & gradb(3,-1:maxres),
35      & gradbx(3,-1:maxres),gel_loc_loc(maxvar),gel_loc_turn3(maxvar),
36      & gel_loc_turn4(maxvar),gel_loc_turn6(maxvar),
37      & gcorr_loc(maxvar),
38      & g_corr5_loc(maxvar),g_corr6_loc(maxvar),gsccorc(3,-1:maxres),
39      & gsccorx(3,-1:maxres),gsccor_loc(-1:maxres),
40      & dtheta(3,2,-1:maxres),
41      & gscloc(3,-1:maxres),gsclocx(3,-1:maxres),
42      & dphi(3,3,-1:maxres),dalpha(3,3,-1:maxres),domega(3,3,-1:maxres),
43      & nfl,
44      & icg
45       double precision derx,derx_turn
46       common /deriv_loc/ derx(3,5,2),derx_turn(3,5,2)
47       double precision dXX_C1tab(3,maxres),dYY_C1tab(3,maxres),
48      &  dZZ_C1tab(3,maxres),dXX_Ctab(3,maxres),dYY_Ctab(3,maxres),
49      &  dZZ_Ctab(3,maxres),dXX_XYZtab(3,maxres),dYY_XYZtab(3,maxres),
50      &  dZZ_XYZtab(3,maxres)
51       common /deriv_scloc/ dXX_C1tab,dYY_C1tab,dZZ_C1tab,dXX_Ctab,
52      &  dYY_Ctab,dZZ_Ctab,dXX_XYZtab,dYY_XYZtab,dZZ_XYZtab
53       integer igrad_start,igrad_end,jgrad_start(maxres),
54      &  jgrad_end(maxres)
55       common /mpgrad/ igrad_start,igrad_end,jgrad_start,jgrad_end