Follow Jim's suggestion to use a macro for unified reduction

Author: HanatoK

namd/src/colvarproxy_namd.C

@@ -138,7 +138,7 @@ colvarproxy_namd::colvarproxy_namd()
 
   reduction = ReductionMgr::Object()->willSubmit(REDUCTIONS_BASIC);
 
-  #ifdef NODEGROUP_FORCE_REGISTER
+  #if defined(NODEGROUP_FORCE_REGISTER) && !defined(NAMD_UNIFIED_REDUCTION)
   CProxy_PatchData cpdata(CkpvAccess(BOCclass_group).patchData);
   PatchData *patchData = cpdata.ckLocalBranch();
   nodeReduction = patchData->reduction;
@@ -590,7 +590,7 @@ void colvarproxy_namd::calculate()
 #endif
 
   // send MISC energy
-  #ifdef NODEGROUP_FORCE_REGISTER
+  #if defined(NODEGROUP_FORCE_REGISTER) && !defined(NAMD_UNIFIED_REDUCTION)
   if(!simparams->CUDASOAintegrate) {
     reduction->submit();
   }
@@ -648,7 +648,7 @@ int colvarproxy_namd::run_colvar_gradient_callback(
 
 void colvarproxy_namd::add_energy(cvm::real energy)
 {
-  #ifdef NODEGROUP_FORCE_REGISTER
+  #if defined(NODEGROUP_FORCE_REGISTER) && !defined(NAMD_UNIFIED_REDUCTION)
   if (simparams->CUDASOAintegrate) {
     nodeReduction->item(REDUCTION_MISC_ENERGY) += energy;
   } else {

namd/src/colvarproxy_namd.h

@@ -24,6 +24,7 @@
 #include "Lattice.h"
 #include "GlobalMaster.h"
 #include "Random.h"
+#include "ConfigList.h"
 
 #include "colvarmodule.h"
 #include "colvarproxy.h"
@@ -57,7 +58,7 @@ class colvarproxy_namd : public colvarproxy, public GlobalMaster {
 
   /// Used to submit restraint energy as MISC
   SubmitReduction *reduction;
-#ifdef NODEGROUP_FORCE_REGISTER
+#if defined(NODEGROUP_FORCE_REGISTER) && !defined(NAMD_UNIFIED_REDUCTION)
   NodeReduction *nodeReduction;
 #endif