From 070588e2611c5a7707b7cab098b2258bb3034232 Mon Sep 17 00:00:00 2001 From: Ye Luo Date: Wed, 14 Jun 2017 22:56:47 -0500 Subject: [PATCH] Use full precision in ForceCeperley::InitMatrix --- src/QMCHamiltonians/ForceCeperley.h | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/src/QMCHamiltonians/ForceCeperley.h b/src/QMCHamiltonians/ForceCeperley.h index 556aae9c1..dc13d58e3 100644 --- a/src/QMCHamiltonians/ForceCeperley.h +++ b/src/QMCHamiltonians/ForceCeperley.h @@ -31,9 +31,9 @@ struct ForceCeperley: public QMCHamiltonianBase, public ForceBase double Rcut; // parameter: radial distance within which estimator is used int m_exp; // parameter: exponent in polynomial fit int N_basis; // parameter: size of polynomial basis set - Matrix Sinv; // terms in fitting polynomial - Vector h; // terms in fitting polynomial - Vector c; // polynomial coefficients + Matrix Sinv; // terms in fitting polynomial + Vector h; // terms in fitting polynomial + Vector c; // polynomial coefficients // container for short-range force estimator ParticleSet::ParticlePos_t forces_ShortRange;