introduction of shielding to cluster DEBUG mode

[unres.git] / source / cluster / wham / src-M / COMMON.DERIV

diff --git a/source/cluster/wham/src-M/COMMON.DERIV b/source/cluster/wham/src-M/COMMON.DERIV
index 79f8630..4e116e1 100644 (file)
--- a/source/cluster/wham/src-M/COMMON.DERIV
+++ b/source/cluster/wham/src-M/COMMON.DERIV
@@ -3,13 +3,31 @@
      & 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
+     & gscloc,gsclocx,gshieldx,gradafm,
+     & gshieldc, gshieldc_loc, gshieldx_ec, gshieldc_ec,
+     & gshieldc_loc_ec, gshieldx_t3,gshieldc_t3,gshieldc_loc_t3,
+     & gshieldx_t4, gshieldc_t4,gshieldc_loc_t4,gshieldx_ll,
+     & gshieldc_ll, gshieldc_loc_ll
+
+
       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),
+     & gliptranc(3,-1:maxres),
+     & gliptranx(3,-1:maxres),
+     & gshieldx(3,-1:maxres), gshieldc(3,-1:maxres),
+     & gshieldc_loc(3,-1:maxres),
+     & gshieldx_ec(3,-1:maxres), gshieldc_ec(3,-1:maxres),
+     & gshieldc_loc_ec(3,-1:maxres),
+     & gshieldx_t3(3,-1:maxres), gshieldc_t3(3,-1:maxres),
+     & gshieldc_loc_t3(3,-1:maxres),
+     & gshieldx_t4(3,-1:maxres), gshieldc_t4(3,-1:maxres),
+     & gshieldc_loc_t4(3,-1:maxres),
+     & gshieldx_ll(3,-1:maxres), gshieldc_ll(3,-1:maxres),
+     & gshieldc_loc_ll(3,-1: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),