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numerical thresholds collected into a traits template

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jiri committed 2026-11-05 16:27:49 +01:00
1 parent 48796fba1b
commit 2ed864bda4
9 files changed
+39 -21
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davidson.h
+2 -2
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@@ -47,7 +47,7 @@ namespace LA {
template <typename T, typename Matrix>
void davidson(const Matrix &bigmat, NRVec<T> &eivals, NRVec<T> *eivecs, const char *eivecsfile,
int nroots=1, const bool verbose=0, const double eps=1e-6,
int nroots=1, const bool verbose=0, const double eps=LA_precision<typename LA_traits<T>::normtype>::eigensolver_eps(),
const bool incore=1, int maxit=100, const int maxkrylov = 500,
void (*initguess)(NRVec<T> &)=NULL, const typename LA_traits<T>::normtype *target=NULL)
{
@@ -235,7 +235,7 @@ eival_n = r[nroot];
for(i=0; i<n; ++i)
{
typename LA_traits<T>::normtype denom = LA_traits<T>::realpart(diagonal[i]) - eival_n;
denom = denom<0?-std::max(0.1,std::abs(denom)):std::max(0.1,std::abs(denom));
denom = denom<0?-std::max((typename LA_traits<T>::normtype)0.1,std::abs(denom)):std::max((typename LA_traits<T>::normtype)0.1,std::abs(denom));
vec1[i] /= denom;
}
}