f1f5db5a29b28070a08ae86290c833435a703d31
[unres.git] / source / cluster / wham / src-HCD / include_unres / 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      & gg_tube,gg_tube_SC,
7      & gshieldc, gshieldc_loc, gshieldx_ec, gshieldc_ec,
8      & gshieldc_loc_ec, gshieldx_t3,gshieldc_t3,gshieldc_loc_t3,
9      & gshieldx_t4, gshieldc_t4,gshieldc_loc_t4,gshieldx_ll,
10      & gelc_long,gvdwpp,gradxorr,gradcorr5,gradcorr6,gcorr3_turn,
11      & gcorr4_turn,gradb,gel_loc_loc,gel_loc_turn3,gel_loc_turn4,
12      & g_corr5_loc,g_corr6_loc,gsccorc,gsccorx,gsccor_loc,gcorr6_turn,
13      & gradbx,gel_loc_turn6,gcorr_loc,
14      & gshieldc_ll, gshieldc_loc_ll,gsaxsC,gsaxsX,
15      & gdfad,gdfat,gdfan,gdfab
16       integer nfl,icg
17       logical calc_grad
18       common /derivat/ dcdv(6,maxdim),dxdv(6,maxdim),dxds(6,maxres),
19      & gradx(3,-1:maxres,2),gradc(3,-1:maxres,2),gvdwx(3,-1:maxres),
20      & gvdwc(3,-1:maxres),gelc(3,-1:maxres),gelc_long(3,-1:maxres),
21      & gvdwpp(3,-1:maxres),gvdwc_scpp(3,-1:maxres),
22      & gliptranc(3,-1:maxres),
23      & gliptranx(3,-1:maxres),
24      & gshieldx(3,-1:maxres), gshieldc(3,-1:maxres),
25      & gshieldc_loc(3,-1:maxres),
26      & gshieldx_ec(3,-1:maxres), gshieldc_ec(3,-1:maxres),
27      & gshieldc_loc_ec(3,-1:maxres),
28      & gshieldx_t3(3,-1:maxres), gshieldc_t3(3,-1:maxres),
29      & gshieldc_loc_t3(3,-1:maxres),
30      & gshieldx_t4(3,-1:maxres), gshieldc_t4(3,-1:maxres),
31      & gshieldc_loc_t4(3,-1:maxres),
32      & gshieldx_ll(3,-1:maxres), gshieldc_ll(3,-1:maxres),
33      & gshieldc_loc_ll(3,-1:maxres),
34      & gradafm(3,-1:maxres),gg_tube(3,-1:maxres),
35      & gg_tube_sc(3,-1:maxres),
36      & gradx_scp(3,-1:maxres),gvdwc_scp(3,-1:maxres),
37      & ghpbx(3,-1:maxres),
38      & ghpbc(3,-1:maxres),gloc(maxvar,2),gradcorr(3,-1:maxres),
39      & gsaxsC(3,-1:maxres),gsaxsX(3,-1:maxres),
40      & gradcorr_long(3,-1:maxres),gradcorr5_long(3,-1:maxres),
41      & gradcorr6_long(3,-1:maxres),gcorr6_turn_long(3,-1:maxres),
42      & gradxorr(3,-1:maxres),gradcorr5(3,-1:maxres),
43      & gradcorr6(3,-1:maxres),
44      & gloc_x(maxvar,2),gel_loc(3,-1:maxres),gel_loc_long(3,-1:maxres),
45      & gcorr3_turn(3,-1:maxres),
46      & gcorr4_turn(3,-1:maxres),gcorr6_turn(3,-1:maxres),
47      & gradb(3,-1:maxres),
48      & gradbx(3,-1:maxres),gel_loc_loc(maxvar),gel_loc_turn3(maxvar),
49      & gel_loc_turn4(maxvar),gel_loc_turn6(maxvar),
50      & gcorr_loc(maxvar),
51      & g_corr5_loc(maxvar),g_corr6_loc(maxvar),gsccorc(3,-1:maxres),
52      & gsccorx(3,-1:maxres),gsccor_loc(-1:maxres),
53      & dtheta(3,2,-1:maxres),
54      & gscloc(3,-1:maxres),gsclocx(3,-1:maxres),
55      & dphi(3,3,-1:maxres),dalpha(3,3,-1:maxres),domega(3,3,-1:maxres),
56      & gdfad(3,maxres),gdfat(3,maxres),gdfan(3,maxres),gdfab(3,maxres),
57      & nfl,
58      & icg,calc_grad
59       double precision derx,derx_turn
60       common /deriv_loc/ derx(3,5,2),derx_turn(3,5,2)
61       double precision dXX_C1tab(3,maxres),dYY_C1tab(3,maxres),
62      &  dZZ_C1tab(3,maxres),dXX_Ctab(3,maxres),dYY_Ctab(3,maxres),
63      &  dZZ_Ctab(3,maxres),dXX_XYZtab(3,maxres),dYY_XYZtab(3,maxres),
64      &  dZZ_XYZtab(3,maxres)
65       common /deriv_scloc/ dXX_C1tab,dYY_C1tab,dZZ_C1tab,dXX_Ctab,
66      &  dYY_Ctab,dZZ_Ctab,dXX_XYZtab,dYY_XYZtab,dZZ_XYZtab
67       integer igrad_start,igrad_end,jgrad_start(maxres),
68      &  jgrad_end(maxres)
69       common /mpgrad/ igrad_start,igrad_end,jgrad_start,jgrad_end