Changeset 42a775

Timestamp:

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

Author:

Frederik Heber <heber@…>

Children:

ad2befa

Parents:

1c7075

git-author:

Frederik Heber <heber@…> (07/06/12 19:46:08)

git-committer:

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

Message:

Removed some now futile ints (actually bools) in try_main().

File:

• src/bin/mpqc/mpqc.cc (modified) (4 diffs)

src/bin/mpqc/mpqc.cc

@@ -1017 +1017 @@
   char * ckptfile = new char[strlen(molname)+6];
   sprintf(ckptfile,"%s.ckpt",molname);
-  
+
   KeyValValueString restartfiledef(ckptfile);
   char * restartfile = keyval->pcharvalue("restart_file", restartfiledef);
@@ -1029 +1029 @@
   sprintf(mole_ckpt_file,"%s",wfn_file);
 
-  int restart = keyval->booleanvalue("restart",truevalue);
-
-  int checkpoint = keyval->booleanvalue("checkpoint",truevalue);
-  int checkpoint_freq = keyval->intvalue("checkpoint_freq",KeyValValueint(1));
-  
   int savestate = keyval->booleanvalue("savestate",truevalue);
 
@@ -1047 +1042 @@
   delete[] mole_ckpt_file;
 
+  int checkpoint = keyval->booleanvalue("checkpoint",truevalue);
   if (checkpoint && opt.nonnull()) {
     opt->set_checkpoint();
@@ -1067 +1063 @@
   }
   
+  // from now on we time the calculations
   if (tim.nonnull()) tim->change("calc");