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work on test reproducibility
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tkittel committed Oct 24, 2024
1 parent 70976bf commit a48bfbc
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Showing 2 changed files with 4 additions and 3 deletions.
3 changes: 2 additions & 1 deletion ncrystal_core/src/NCVDOSEval.cc
Original file line number Diff line number Diff line change
Expand Up @@ -177,7 +177,8 @@ NC::VDOSEval::VDOSEval(const VDOSData& vd)
{
if ( s_verbose_vdoseval )
NCRYSTAL_MSG("VDOSEval constructed ("<<m_density.size()
<<" density pts on egrid spanning ["<<m_emin<<", "<<m_emax<<"]");
<<" density pts on egrid spanning ["<<fmt(m_emin,"%.14g")
<<", "<<fmt(m_emax,"%.14g")<<"])");

nc_assert( m_elementMassAMU.dbl()>0.5 && m_elementMassAMU.dbl()<2000.0 );
nc_assert_always(m_density.size()<static_cast<std::size_t>(std::numeric_limits<int>::max()-2));
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4 changes: 2 additions & 2 deletions tests/scripts/vdosreg2.log
Original file line number Diff line number Diff line change
Expand Up @@ -742,7 +742,7 @@ NCrystal: regulariseVDOSGrid Checking best tol (from k=252): 4.57143e-08 versus
NCrystal: regulariseVDOSGrid trying k=615 (m=5007, eps=7.36254e-06)
NCrystal: regulariseVDOSGrid Checking best tol (from k=252): 4.57143e-08 versus 4.27486e-07 = 0.0427486 * 1e-05
NCrystal: regulariseVDOSGrid Grid was regularised using 2054 equidistant points on interval [0.00524982, 0.0480192]
NCrystal: VDOSEval constructed (2054 density pts on egrid spanning [0.00524982, 0.0480192]
NCrystal: VDOSEval constructed (2054 density pts on egrid spanning [0.00524982, 0.048019186904762])
NCrystal: Called regulariseVDOSGrid([0.00524982,..,0.0479984], 172 density pts
NCrystal: regulariseVDOSGrid trying k=246 (m=2003, eps=3.09439e-06)
NCrystal: regulariseVDOSGrid NEW BEST k=246 (reduces epsilon by factor 0 = 1-1)
Expand Down Expand Up @@ -1487,4 +1487,4 @@ NCrystal: regulariseVDOSGrid Checking best tol (from k=252): 4.57143e-08 versus
NCrystal: regulariseVDOSGrid trying k=615 (m=5007, eps=7.36254e-06)
NCrystal: regulariseVDOSGrid Checking best tol (from k=252): 4.57143e-08 versus 4.27486e-07 = 0.0427486 * 1e-05
NCrystal: regulariseVDOSGrid Grid was regularised using 2054 equidistant points on interval [0.00524982, 0.0480192]
NCrystal: VDOSEval constructed (2054 density pts on egrid spanning [0.00524982, 0.0480192]
NCrystal: VDOSEval constructed (2054 density pts on egrid spanning [0.00524982, 0.048019186904762])

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