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[phys/latlib.git] / o815 / sim.cpp

diff --git a/o815/sim.cpp b/o815/sim.cpp
index b37549aa9994977f7000c34517dbcd1a3292114f..ec1ca89bcbecf959148d5caffeaf47ec42dcf39a 100644 (file)
--- a/o815/sim.cpp
+++ b/o815/sim.cpp
@@ -13,72 +13,25 @@ o815::sim::sim(o815 *_O815, const int& _confmemSize) {
 }
 
 void o815::sim::nextConfig() {
 }
 
 void o815::sim::nextConfig() {

-  bool readnewconfig;
-  int nequileftReadConfig;
-  bool skippedInEqui = false;
-  bool readNoSingleConfig = true;
-  bool createdNoNewConfigs = true;
-
-  hypercache::readC(readnewconfig, nequileftReadConfig);
-
-  if (readnewconfig) {
-    nequileft = nequileftReadConfig;
-    readNoSingleConfig = false;
-  }
-
-  /* try to find more equilibrated config-file for equilibration including excluded files */
-  if ( nequileft > 0 && hypercache::CFilesLeft() > 0 ) {
-    char *tmpconfig = (char*) malloc(confmemSize);
-
-    while (true) {
-      memcpy (tmpconfig, confMem, confmemSize);
-      hypercache::readC(readnewconfig, nequileftReadConfig);
-
-      if (! readnewconfig) {
-       *log << "SIM: No more excluded config-files for possible equilibration available." << endl << flush;
-       break;
-      }
-      
-      if (nequileftReadConfig <= nequileft) {
-       *log << "SIM: Found more equilibrated or same equilibrated excluded config-file configuration for equilibration." << endl << flush;
-       nequileft = nequileftReadConfig;
-       readNoSingleConfig = false;
-      }
-      else if (nequileftReadConfig > nequileft) {
-       *log << "SIM: Excluded config-file configuration for equilibration is less equilibrated than actual config." << endl << flush;
-       memcpy (confMem, tmpconfig, confmemSize);
-      }
-    }
-    free(tmpconfig);
-  }
+  bool readAtLeastOneConfig = hypercache::readC();

 
   /* equilibrate if necessary */
 
   /* equilibrate if necessary */

-  if (nequileft > 0) {
+  if (hypercache::getNEquiLeft() > 0) {

     *log << "SIM: Starting equilibration." << endl << flush;
     *log << "SIM: Starting equilibration." << endl << flush;

-    if (nequileft != nequi)
-      *log << "SIM: " << nequileft << " of " << nequi << " equilibration steps left after virtual equilibration." << endl << flush;
-    progress equiProg(nequileft);
-    for ( int iequi=0; iequi<nequileft; iequi++ ) {
+    if (hypercache::getNEquiLeft() != nequi)
+      *log << "SIM: " << hypercache::getNEquiLeft() << " of " << nequi << " equilibration steps left after virtual equilibration." << endl << flush;
+    progress equiProg(hypercache::getNEquiLeft());
+    for ( int iequi = 0; iequi < hypercache::getNEquiLeft(); iequi++ ) {

       _makeSweep();
       while( equiProg.madeStep(iequi) ) *log << "SIM: " << equiProg.done()*100 << "% of equilibration done." << endl << flush;
     }
       _makeSweep();
       while( equiProg.madeStep(iequi) ) *log << "SIM: " << equiProg.done()*100 << "% of equilibration done." << endl << flush;
     }

-    nequileft = 0;
-    skippedInEqui = true;
-    createdNoNewConfigs = false;

   }
 
   }
 

-  /* make skip if no config could be read */
-  if ( ! skippedInEqui && readNoSingleConfig ) {
-    cout << "here" << endl;
+  /* make skip if no config could be read or one skip is left after equilibration */
+  if ( (! readAtLeastOneConfig) || (hypercache::getNEquiLeft() >= 0) ) {

     for (int iskip=0; iskip<nskip; iskip++) {
       _makeSweep();
     for (int iskip=0; iskip<nskip; iskip++) {
       _makeSweep();

-      nequileft--;

     }
     }

-    createdNoNewConfigs = false;
+    hypercache::writeC();

   }
   }

- 
-  if (! createdNoNewConfigs)
-    hypercache::writeC(nequi-nequileft);
-
-  cout << nequileft << endl;

 }
 }