Changes in src/joiner.cpp [a67d19:e138de]

File:

• src/joiner.cpp (modified) (7 diffs)

src/joiner.cpp

@@ -7 +7 @@
 
 //============================ INCLUDES ===========================
-
-#include <cstring>
 
 #include "datacreator.hpp"
@@ -47 +45 @@
   bool NoHessian = false;
 
-  DoLog(0) && (Log() << Verbose(0) << "Joiner" << endl);
-  DoLog(0) && (Log() << Verbose(0) << "======" << endl);
+  Log() << Verbose(0) << "Joiner" << endl;
+  Log() << Verbose(0) << "======" << endl;
 
   // Get the command line options
   if (argc < 3) {
-    DoLog(0) && (Log() << Verbose(0) << "Usage: " << argv[0] << " <inputdir> <prefix> [elementsdb]" << endl);
-    DoLog(0) && (Log() << Verbose(0) << "<inputdir>\ttherein the output of a molecuilder fragmentation is expected, each fragment with a subdir containing an energy.all and a forces.all file." << endl);
-    DoLog(0) && (Log() << Verbose(0) << "<prefix>\tprefix of energy and forces file." << endl);
-    DoLog(0) && (Log() << Verbose(0) << "[elementsdb]\tpath to elements database, needed for shieldings." << endl);
+    Log() << Verbose(0) << "Usage: " << argv[0] << " <inputdir> <prefix> [elementsdb]" << endl;
+    Log() << Verbose(0) << "<inputdir>\ttherein the output of a molecuilder fragmentation is expected, each fragment with a subdir containing an energy.all and a forces.all file." << endl;
+    Log() << Verbose(0) << "<prefix>\tprefix of energy and forces file." << endl;
+    Log() << Verbose(0) << "[elementsdb]\tpath to elements database, needed for shieldings." << endl;
     return 1;
   } else {
@@ -77 +75 @@
   if (!Hcorrection.ParseFragmentMatrix(argv[1], "", HCORRECTIONSUFFIX, 0,0)) {
     NoHCorrection = true;
-    DoLog(0) && (Log() << Verbose(0) << "No HCorrection matrices found, skipping these." << endl);
+    Log() << Verbose(0) << "No HCorrection matrices found, skipping these." << endl;
   }
   if (!Force.ParseFragmentMatrix(argv[1], dir, ForcesSuffix, 0,0)) return 1;
   if (!Hessian.ParseFragmentMatrix(argv[1], dir, HessianSuffix, 0,0)) {
     NoHessian = true;
-    DoLog(0) && (Log() << Verbose(0) << "No hessian matrices found, skipping these." << endl);
+    Log() << Verbose(0) << "No hessian matrices found, skipping these." << endl;
   }
   if (periode != NULL) { // also look for PAS values
@@ -146 +144 @@
   for (int BondOrder=0;BondOrder<KeySet.Order;BondOrder++) {
     // --------- sum up energy --------------------
-    DoLog(0) && (Log() << Verbose(0) << "Summing energy of order " << BondOrder+1 << " ..." << endl);
+    Log() << Verbose(0) << "Summing energy of order " << BondOrder+1 << " ..." << endl;
     if (!EnergyFragments.SumSubManyBodyTerms(Energy, KeySet, BondOrder)) return 1;
     if (!NoHCorrection) { 
@@ -155 +153 @@
       if (!Energy.SumSubEnergy(EnergyFragments, NULL, KeySet, BondOrder, 1.)) return 1;
     // --------- sum up Forces --------------------
-    DoLog(0) && (Log() << Verbose(0) << "Summing forces of order " << BondOrder+1 << " ..." << endl);
+    Log() << Verbose(0) << "Summing forces of order " << BondOrder+1 << " ..." << endl;
     if (!ForceFragments.SumSubManyBodyTerms(Force, KeySet, BondOrder)) return 1;
     if (!Force.SumSubForces(ForceFragments, KeySet, BondOrder, 1.)) return 1;
     // --------- sum up Hessian --------------------
     if (!NoHessian) {
-      DoLog(0) && (Log() << Verbose(0) << "Summing Hessian of order " << BondOrder+1 << " ..." << endl);
+      Log() << Verbose(0) << "Summing Hessian of order " << BondOrder+1 << " ..." << endl;
       if (!HessianFragments.SumSubManyBodyTerms(Hessian, KeySet, BondOrder)) return 1;
       if (!Hessian.SumSubHessians(HessianFragments, KeySet, BondOrder, 1.)) return 1;
     }
     if (periode != NULL) { // also look for PAS values
-      DoLog(0) && (Log() << Verbose(0) << "Summing shieldings and susceptibilities of order " << BondOrder+1 << " ..." << endl);
+      Log() << Verbose(0) << "Summing shieldings and susceptibilities of order " << BondOrder+1 << " ..." << endl;
       if (!ShieldingFragments.SumSubManyBodyTerms(Shielding, KeySet, BondOrder)) return 1;
       if (!Shielding.SumSubForces(ShieldingFragments, KeySet, BondOrder, 1.)) return 1;
@@ -179 +177 @@
     prefix.str(" ");
     prefix << dir << OrderSuffix << (BondOrder+1);
-    DoLog(0) && (Log() << Verbose(0) << "Writing files " << argv[1] << prefix.str() << ". ..." << endl);
+    Log() << Verbose(0) << "Writing files " << argv[1] << prefix.str() << ". ..." << endl;
     // energy
     if (!Energy.WriteLastMatrix(argv[1], (prefix.str()).c_str(), EnergySuffix)) return 1;
@@ -244 +242 @@
   delete(periode);
   Free(&dir);
-  DoLog(0) && (Log() << Verbose(0) << "done." << endl);
+  Log() << Verbose(0) << "done." << endl;
   return 0;
 };