Changeset ab755a

Timestamp:

Jul 10, 2012, 1:15:51 PM (13 years ago)

Author:

Frederik Heber <heber@…>

Children:

d2d7fc

Parents:

ce1e39

git-author:

Frederik Heber <heber@…> (07/08/12 19:59:01)

git-committer:

Frederik Heber <heber@…> (07/10/12 13:15:51)

Message:

Placed initial stuff in try_main() into own function.

• also moved Work() before try_main().

File:

• src/bin/mpqc/mpqc.cc (modified) (3 diffs)

src/bin/mpqc/mpqc.cc

@@ -1128 +1128 @@
 }
 
-void Work(ostream *&outstream, struct OptionValues &values, const char *&input, const char *&generic_input, int argc, char **argv);
-
-int
-try_main(int argc, char *argv[])
+void init()
 {
   //trash_stack();
@@ -1167 +1164 @@
   setrlimit(RLIMIT_CORE,&rlim);
 #endif
-
-  ExEnv::init(argc, argv);
-
-  // parse commandline options
-  GetLongOpt options;
-  int optind = ParseOptions(options, argc, argv);
-  const char *output = 0;
-  ostream *outstream = 0;
-  ComputeOptions(options, output, outstream);
-  OptionValues values;
-  parseRemainderOptions(options, values, argc, argv);
-
-  // get input file names, either object-oriented or generic
-  const char *object_input = 0;
-  const char *generic_input = 0;
-  getInputFileNames(object_input, generic_input, options, argc, argv);
-  const char *input;
-  if (object_input) input = object_input;
-  if (generic_input) input = generic_input;
-
-  // get the basename for output files
-  setOutputBaseName(input, output);
-
-  // now comes the actual work
-  Work(outstream, values, input, generic_input, argc, argv);
-
-  if (output != 0) {
-    ExEnv::set_out(&cout);
-    delete outstream;
-  }
-
-  return 0;
 }
 
@@ -1506 +1471 @@
 }
 
+int
+try_main(int argc, char *argv[])
+{
+  init();
+
+  ExEnv::init(argc, argv);
+
+  // parse commandline options
+  GetLongOpt options;
+  int optind = ParseOptions(options, argc, argv);
+  const char *output = 0;
+  ostream *outstream = 0;
+  ComputeOptions(options, output, outstream);
+  OptionValues values;
+  parseRemainderOptions(options, values, argc, argv);
+
+  // get input file names, either object-oriented or generic
+  const char *object_input = 0;
+  const char *generic_input = 0;
+  getInputFileNames(object_input, generic_input, options, argc, argv);
+  const char *input;
+  if (object_input) input = object_input;
+  if (generic_input) input = generic_input;
+
+  // get the basename for output files
+  setOutputBaseName(input, output);
+
+  // now comes the actual work
+  Work(outstream, values, input, generic_input, argc, argv);
+
+  if (output != 0) {
+    ExEnv::set_out(&cout);
+    delete outstream;
+  }
+
+  return 0;
+}
+
+
 double EvaluateDensity(SCVector3 &r, Ref<Integral> &intgrl, GaussianBasisSet::ValueData &vdat, Ref<Wavefunction> &wfn)
 {