Merge branch 'devel' into AFM

[unres.git] / source / unres / src_MD-M-newcorr / COMMON.DERIV

diff --git a/source/unres/src_MD-M-newcorr/COMMON.DERIV b/source/unres/src_MD-M-newcorr/COMMON.DERIV
new file mode 100644 (file)
index 0000000..d7c98bd
--- /dev/null
+++ b/source/unres/src_MD-M-newcorr/COMMON.DERIV
@@ -0,0 +1,35 @@
+      double precision dcdv,dxdv,dxds,gradx,gradc,gvdwc,gelc,gelc_long,
+     & gvdwpp,gel_loc,gel_loc_long,gvdwc_scpp,
+     & gradx_scp,gvdwc_scp,ghpbx,ghpbc,gloc,gloc_x,dtheta,dphi,dalpha,
+     & domega,gscloc,gsclocx,gradcorr,gradcorr_long,gradcorr5_long,
+     & gradcorr6_long,gcorr6_turn_long,gvdwx
+      integer nfl,icg
+      common /derivat/ dcdv(6,maxdim),dxdv(6,maxdim),dxds(6,maxres),
+     & gradx(3,maxres,2),gradc(3,maxres,2),gvdwx(3,maxres),
+     & gvdwc(3,maxres),gelc(3,maxres),gelc_long(3,maxres),
+     & gvdwpp(3,maxres),gvdwc_scpp(3,maxres),
+     & gradx_scp(3,maxres),gvdwc_scp(3,maxres),ghpbx(3,maxres),
+     & ghpbc(3,maxres),gloc(maxvar,2),gradcorr(3,maxres),
+     & gradcorr_long(3,maxres),gradcorr5_long(3,maxres),
+     & gradcorr6_long(3,maxres),gcorr6_turn_long(3,maxres),
+     & gradxorr(3,maxres),gradcorr5(3,maxres),gradcorr6(3,maxres),
+     & gloc_x(maxvar,2),gel_loc(3,maxres),gel_loc_long(3,maxres),
+     & gcorr3_turn(3,maxres),
+     & gcorr4_turn(3,maxres),gcorr6_turn(3,maxres),gradb(3,maxres),
+     & gradbx(3,maxres),gel_loc_loc(maxvar),gel_loc_turn3(maxvar),
+     & gel_loc_turn4(maxvar),gel_loc_turn6(maxvar),gcorr_loc(maxvar),
+     & g_corr5_loc(maxvar),g_corr6_loc(maxvar),gsccorc(3,maxres),
+     & gsccorx(3,maxres),gsccor_loc(maxres),dtheta(3,2,maxres),
+     & gscloc(3,maxres),gsclocx(3,maxres),
+     & dphi(3,3,maxres),dalpha(3,3,maxres),domega(3,3,maxres),nfl,icg
+      double precision derx,derx_turn
+      common /deriv_loc/ derx(3,5,2),derx_turn(3,5,2)
+      double precision dXX_C1tab(3,maxres),dYY_C1tab(3,maxres),
+     &  dZZ_C1tab(3,maxres),dXX_Ctab(3,maxres),dYY_Ctab(3,maxres),
+     &  dZZ_Ctab(3,maxres),dXX_XYZtab(3,maxres),dYY_XYZtab(3,maxres),
+     &  dZZ_XYZtab(3,maxres)
+      common /deriv_scloc/ dXX_C1tab,dYY_C1tab,dZZ_C1tab,dXX_Ctab,
+     &  dYY_Ctab,dZZ_Ctab,dXX_XYZtab,dYY_XYZtab,dZZ_XYZtab
+      integer igrad_start,igrad_end,jgrad_start(maxres),
+     &  jgrad_end(maxres)
+      common /mpgrad/ igrad_start,igrad_end,jgrad_start,jgrad_end