Commit 40e559d5 by Francois Gygi

set default bisection tolerance to 1.0

git-svn-id: http://qboxcode.org/svn/qb/trunk@1656 cba15fb0-1239-40c8-b417-11db7ca47a34
parent 69ac2631
......@@ -999,7 +999,7 @@ double ExchangeOperator::compute_exchange_at_gamma_(const Wavefunction &wf,
<< maxsweep << endl;
assert(maxsweep >= 0);
}
double tol = 1.e-6;
double tol = 1.0;
if ( s_.ctrl.debug.find("BISECTION_TOL") != string::npos )
{
// override tolerance for bisection
......
......@@ -10,6 +10,15 @@ ChargeDensity.C::update_rhor: use of transform algorithm. Add and subtract
core charge can be replaced by use of temporary array, simpler loop.
sample.xsd: remove definition of doubleListType which appears in species.xsd
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rel1_60_9
r1656 ExchangeOperator.C: changed default bisection tolerance to 1.0
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rel1_60_8
r1655 ExchangeOperator print exch time only if DEBUG defined
r1652 Bisection.C print nsweep only if TIMING defined
r1651 ExchangeOperator.C added omp directives in jade.C
r1649 ExchangeOperator.C, Bisection.C added BISECTION_NSWEEP debug option
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rel1_60_7
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r1645: Bisection.C: modified pair_fraction to reduce calls to overlap.
......
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