- if ( nequileft != -1 ) {
- if(toEquilibrate) {
- _reset();
- *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++ ) {
- _makeSweep(1);
- while( equiProg.madeStep(iequi) ) *log << "SIM: " << equiProg.done()*100 << "% of equilibration done." << endl << flush;
- }
- }
- _makeSweep(nskip);
+ readAtLeastOneConfig = hypercache::readC();
+
+ /* equilibrate if necessary */
+ if (hypercache::getNEquiLeft() > 0) {
+ *log << "SIM: Starting equilibration." << endl << flush;
+ 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;
+ }
+ skippedInEqui = true;
+ createdNoNewConfigs = false;
+ }
+
+ /* make skip if no config could be read */
+ if ( (! readAtLeastOneConfig) ) {
+ cout << "SKIPPING" << endl;
+ for (int iskip=0; iskip<nskip; iskip++) {
+ _makeSweep();
+ }
+ createdNoNewConfigs = false;
+ }
+
+ if (! createdNoNewConfigs) {
+ cout << "::" << hypercache::getNEquiLeft() << endl;