Changeset 75793b2 for molecuilder/src/analyzer.cpp

Timestamp:

Jun 7, 2008, 1:20:30 PM (17 years ago)

Author:

Frederik Heber <heber@…>

Children:

42bdb2, a89a22

Parents:

a1c448

Message:

these are all smaller fixes due to extensively enabled compiler warnings

e.g. local variable shadows global (mol::nr by local nr)
and others

File:

• molecuilder/src/analyzer.cpp (modified) (2 diffs)

molecuilder/src/analyzer.cpp

@@ -312 +312 @@
   // min/mean/max comparison for total force
   if(!OpenOutputFile(output, argv[3], "DeltaMinMeanMaxTotalForce-Order.pyx")) return 1;
-  CreatePlotHeader(output, "DeltaMinMeanMaxTotalForce-Order", 1, "bottom left", "y", "",  1, 1, "bond order k", "absolute error in total forces [Ht/a.u.]");
+  CreatePlotHeader(output, "DeltaMinMeanMaxTotalForce-Order", 1, "bottom left", "y", NULL,  1, 1, "bond order k", "absolute error in total forces [Ht/a.u.]");
   output << "plot " << Orderxrange.str().c_str() << " [1e-8:1e+0] \\" << endl;  
   output << "'DeltaMinForces-Order.dat' title 'minimum' using 1:(sqrt($" << 8 << "*$" << 8 << "+$" << 8+1 << "*$" << 8+1 << "+$" << 8+2 << "*$" << 8+2 << ")) with linespoints, \\" << endl;
@@ -331 +331 @@
   // min/mean/max comparison for total force
   if(!OpenOutputFile(output, argv[3],"MinMeanMaxTotalForce-Order.pyx")) return 1;
-  CreatePlotHeader(output, "MinMeanMaxTotalForce-Order", 1, "bottom left", "y", "", 1, 1, "bond order k", "absolute total force [Ht/a.u.]");
+  CreatePlotHeader(output, "MinMeanMaxTotalForce-Order", 1, "bottom left", "y", NULL, 1, 1, "bond order k", "absolute total force [Ht/a.u.]");
   output << "plot "<< Orderxrange.str().c_str() << " [1e-8:1e+0] \\" << endl;  
   output << "'MinForces-Order.dat' title 'minimum' using 1:(sqrt($" << 8 << "*$" << 8 << "+$" << 8+1 << "*$" << 8+1 << "+$" << 8+2 << "*$" << 8+2 << ")) with linespoints, \\" << endl;