jiri/LA_library
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jiri
2008-12-18 15:48:25 +00:00
parent e49f2a9d6c
commit f73b10534f
3 changed files with 14 additions and 4 deletions
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5
davidson.h
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@@ -156,10 +156,11 @@ for(int iroot=0; iroot<=min(krylovsize,nroots-1); ++iroot)
if(verbose && iroot<=max(oldnroot,nroot))
{
cout <<"Davidson: iter="<<it <<" dim="<<krylovsize<<" root="<<iroot<<" energy="<<r[iroot]<<"\n";
cout.flush();
}
}
if(verbose && oldnroot!=nroot) cout <<"root no. "<<oldnroot<<" converged\n";
if(verbose && oldnroot!=nroot) {cout <<"root no. "<<oldnroot<<" converged\n"; cout.flush();}
if (nroot>=nroots) goto converged;
if (it==maxit-1) break; //not converged
@@ -223,7 +224,7 @@ goto finished;
converged:
AuxStorage<typename LA_traits<T>::elementtype> *ev;
if(eivecsfile) ev = new AuxStorage<typename LA_traits<T>::elementtype>(eivecsfile);
if(verbose) cout << "Davidson converged in "<<it<<" iterations.\n";
if(verbose) {cout << "Davidson converged in "<<it<<" iterations.\n"; cout.flush();}
for(nroot=0; nroot<nroots; ++nroot)
{
eivals[nroot]=r[nroot];