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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7220 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2011-10-31 14:22:15 +00:00
parent e05839cbeb
commit f0e2a07be3
1 changed files with 2 additions and 2 deletions
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src/min_hftn.cpp
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@ -277,7 +277,7 @@ int MinHFTN::execute_hftn_(const bool bPrintProgress,
//---- LINE SEARCH METHODS DO THIS BY RESTRICTING THE LARGEST CHANGE //---- LINE SEARCH METHODS DO THIS BY RESTRICTING THE LARGEST CHANGE
//---- OF ANY ATOM'S COMPONENT TO dmax. AN EXACT CHECK IS MADE LATER, //---- OF ANY ATOM'S COMPONENT TO dmax. AN EXACT CHECK IS MADE LATER,
//---- BUT THIS GUIDES DETERMINATION OF A MAX TRUST RADIUS. //---- BUT THIS GUIDES DETERMINATION OF A MAX TRUST RADIUS.
double dMaxTrustRadius = dmax * sqrt (_nNumUnknowns); double dMaxTrustRadius = dmax * sqrt((double) _nNumUnknowns);
dTrustRadius = MIN (dTrustRadius, dMaxTrustRadius); dTrustRadius = MIN (dTrustRadius, dMaxTrustRadius);
double dLastNewtonStep2 = dMaxTrustRadius; double dLastNewtonStep2 = dMaxTrustRadius;
@ -1148,7 +1148,7 @@ bool MinHFTN::step_exceeds_TR_(const double dTrustRadius,
bool MinHFTN::step_exceeds_DMAX_(void) const bool MinHFTN::step_exceeds_DMAX_(void) const
{ {
double dAlpha = dmax * sqrt (_nNumUnknowns); double dAlpha = dmax * sqrt((double) _nNumUnknowns);
double dPInfLocal = 0.0; double dPInfLocal = 0.0;
for (int i = 0; i < nvec; i++) for (int i = 0; i < nvec; i++)