Merge branch 'devel' into AFM

[unres.git] / source / wham / src-NEWSC / include_unres / COMMON.DERIV

diff --git a/source/wham/src-NEWSC/include_unres/COMMON.DERIV b/source/wham/src-NEWSC/include_unres/COMMON.DERIV
new file mode 100755 (executable)
index 0000000..79f8630
--- /dev/null
+++ b/source/wham/src-NEWSC/include_unres/COMMON.DERIV
@@ -0,0 +1,30 @@
+      double precision dcdv,dxdv,dxds,gradx,gradc,gvdwc,gelc,gvdwpp,
+     & gradx_scp,gvdwc_scp,ghpbx,ghpbc,gloc,gvdwx,gradcorr,gradxorr,
+     & gradcorr5,gradcorr6,gel_loc,gcorr3_turn,gcorr4_turn,gcorr6_turn,
+     & gel_loc_loc,gel_loc_turn3,gel_loc_turn4,gel_loc_turn6,gcorr_loc,
+     & g_corr5_loc,g_corr6_loc,gradb,gradbx,gsccorc,gsccorx,gsccor_loc,
+     & gscloc,gsclocx
+      integer nfl,icg
+      logical calc_grad
+      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),gvdwpp(3,maxres),
+     & gradx_scp(3,maxres),
+     & gvdwc_scp(3,maxres),ghpbx(3,maxres),ghpbc(3,maxres),
+     & gloc(maxvar,2),gradcorr(3,maxres),gradxorr(3,maxres),
+     & gradcorr5(3,maxres),gradcorr6(3,maxres),
+     & gel_loc(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),
+     & gscloc(3,maxres),gsclocx(3,maxres),nfl,icg,calc_grad
+      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