Commit 330e2d17 by Francois Gygi

added bounds to alpha, beta

git-svn-id: http://qboxcode.org/svn/qb/trunk@1009 cba15fb0-1239-40c8-b417-11db7ca47a34
parent 0d0b61a1
...@@ -24,7 +24,9 @@ using namespace std; ...@@ -24,7 +24,9 @@ using namespace std;
CGIonicStepper::CGIonicStepper(Sample& s) : IonicStepper(s), CGIonicStepper::CGIonicStepper(Sample& s) : IonicStepper(s),
cgopt_(CGOptimizer(3*natoms_)) cgopt_(CGOptimizer(3*natoms_))
{ {
cgopt_.set_beta_max(5.0); cgopt_.set_alpha_start(1.0);
cgopt_.set_alpha_max(10.0);
cgopt_.set_beta_max(10.0);
#ifdef DEBUG #ifdef DEBUG
if ( s.ctxt_.onpe0() ) if ( s.ctxt_.onpe0() )
cgopt_.set_debug_print(); cgopt_.set_debug_print();
......
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