Merge branch 'prerelease-3.2.1' of mmka.chem.univ.gda.pl:unres into prerelease-3.2.1
[unres.git] / source / unres / src_MD / COMMON.DERIV
1       double precision dcdv,dxdv,dxds,gradx,gradc,gvdwc,gelc,gelc_long,
2      & gvdwpp,gel_loc,gel_loc_long,gvdwc_scpp,
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,gvdwcT,gvdwxT,gvdwx,gloc_sc,
6      &                 dcostau,dsintau,dtauangle,dcosomicron,
7      &                 domicron
8       integer nfl,icg
9       common /derivatT/ gvdwcT(3,maxres),gvdwxT(3,maxres)
10       common /derivat/ dcdv(6,maxdim),dxdv(6,maxdim),dxds(6,maxres),
11      & gradx(3,maxres,2),gradc(3,maxres,2),gvdwx(3,maxres),
12      & gvdwc(3,maxres),gelc(3,maxres),gelc_long(3,maxres),
13      & gvdwpp(3,maxres),gvdwc_scpp(3,maxres),
14      & gradx_scp(3,maxres),gvdwc_scp(3,maxres),ghpbx(3,maxres),
15      & ghpbc(3,maxres),gloc(maxvar,2),gradcorr(3,maxres),
16      & gradcorr_long(3,maxres),gradcorr5_long(3,maxres),
17      & gradcorr6_long(3,maxres),gcorr6_turn_long(3,maxres),
18      & gradxorr(3,maxres),gradcorr5(3,maxres),gradcorr6(3,maxres),
19      & gloc_x(maxvar,2),gel_loc(3,maxres),gel_loc_long(3,maxres),
20      & gcorr3_turn(3,maxres),
21      & gcorr4_turn(3,maxres),gcorr6_turn(3,maxres),gradb(3,maxres),
22      & gradbx(3,maxres),gel_loc_loc(maxvar),gel_loc_turn3(maxvar),
23      & gel_loc_turn4(maxvar),gel_loc_turn6(maxvar),gcorr_loc(maxvar),
24      & g_corr5_loc(maxvar),g_corr6_loc(maxvar),gsccorc(3,maxres),
25      & gsccorx(3,maxres),gsccor_loc(maxres),dtheta(3,2,maxres),
26      & gscloc(3,maxres),gsclocx(3,maxres),gloc_sc(3,0:maxres2,10),
27      &    dcostau(3,3,3,maxres2),dsintau(3,3,3,maxres2),
28      &    dtauangle(3,3,3,maxres2),dcosomicron(3,3,3,maxres2),
29      &    domicron(3,3,3,maxres2),
30      & dphi(3,3,maxres),dalpha(3,3,maxres),domega(3,3,maxres),nfl,icg
31       double precision derx,derx_turn
32       common /deriv_loc/ derx(3,5,2),derx_turn(3,5,2)
33       double precision dXX_C1tab(3,maxres),dYY_C1tab(3,maxres),
34      &  dZZ_C1tab(3,maxres),dXX_Ctab(3,maxres),dYY_Ctab(3,maxres),
35      &  dZZ_Ctab(3,maxres),dXX_XYZtab(3,maxres),dYY_XYZtab(3,maxres),
36      &  dZZ_XYZtab(3,maxres)
37       common /deriv_scloc/ dXX_C1tab,dYY_C1tab,dZZ_C1tab,dXX_Ctab,
38      &  dYY_Ctab,dZZ_Ctab,dXX_XYZtab,dYY_XYZtab,dZZ_XYZtab
39       integer igrad_start,igrad_end,jgrad_start(maxres),
40      &  jgrad_end(maxres)
41       common /mpgrad/ igrad_start,igrad_end,jgrad_start,jgrad_end