wham with mpich2 (no aliasing) and new dimenstions
[unres.git] / source / cluster / wham / src / COMMON.DERIV
1       double precision dcdv,dxdv,dxds,gradx,gradc,gvdwc,gelc,gvdwpp,
2      & gradx_scp,gvdwc_scp,ghpbx,ghpbc,gloc,gvdwx,gradcorr,gradxorr,
3      & gradcorr5,gradcorr6,gel_loc,gcorr3_turn,gcorr4_turn,gcorr6_turn,
4      & gel_loc_loc,gel_loc_turn3,gel_loc_turn4,gel_loc_turn6,gcorr_loc,
5      & g_corr5_loc,g_corr6_loc,gradb,gradbx,gsccorc,gsccorx,gsccor_loc,
6      & gscloc,gsclocx,gdfad,gdfat,gdfan,gdfab
7       integer nfl,icg
8       logical calc_grad
9       common /derivat/ dcdv(6,maxdim),dxdv(6,maxdim),dxds(6,maxres),
10      & gradx(3,maxres,2),gradc(3,maxres,2),gvdwx(3,maxres),
11      & gvdwc(3,maxres),gelc(3,maxres),gvdwpp(3,maxres),
12      & gradx_scp(3,maxres),
13      & gvdwc_scp(3,maxres),ghpbx(3,maxres),ghpbc(3,maxres),
14      & gloc(maxvar,2),gradcorr(3,maxres),gradxorr(3,maxres),
15      & gradcorr5(3,maxres),gradcorr6(3,maxres),
16      & gel_loc(3,maxres),gcorr3_turn(3,maxres),gcorr4_turn(3,maxres),
17      & gcorr6_turn(3,maxres),gradb(3,maxres),gradbx(3,maxres),
18      & gel_loc_loc(maxvar),gel_loc_turn3(maxvar),gel_loc_turn4(maxvar),
19      & gel_loc_turn6(maxvar),gcorr_loc(maxvar),
20      & g_corr5_loc(maxvar),g_corr6_loc(maxvar),gsccorc(3,maxres),
21      & gsccorx(3,maxres),gsccor_loc(maxres),
22      & gscloc(3,maxres),gsclocx(3,maxres),
23      & gdfad(3,maxres),gdfat(3,maxres),gdfan(3,maxres),gdfab(3,maxres),
24      & nfl,icg,calc_grad
25       double precision derx,derx_turn
26       common /deriv_loc/ derx(3,5,2),derx_turn(3,5,2)
27       double precision dXX_C1tab(3,maxres),dYY_C1tab(3,maxres),
28      &  dZZ_C1tab(3,maxres),dXX_Ctab(3,maxres),dYY_Ctab(3,maxres),
29      &  dZZ_Ctab(3,maxres),dXX_XYZtab(3,maxres),dYY_XYZtab(3,maxres),
30      &  dZZ_XYZtab(3,maxres)
31       common /deriv_scloc/ dXX_C1tab,dYY_C1tab,dZZ_C1tab,dXX_Ctab,
32      &  dYY_Ctab,dZZ_Ctab,dXX_XYZtab,dYY_XYZtab,dZZ_XYZtab