From 98f57f4be2f67008358c1e044b4827d2667e549d Mon Sep 17 00:00:00 2001 From: Ye Luo Date: Thu, 9 Nov 2023 16:03:28 -0600 Subject: [PATCH] Avoid QTFull. --- src/QMCWaveFunctions/BsplineFactory/SplineR2R.cpp | 2 +- src/QMCWaveFunctions/RotatedSPOs.cpp | 2 +- src/QMCWaveFunctions/RotatedSPOs.h | 2 +- src/QMCWaveFunctions/SPOSet.cpp | 2 +- src/QMCWaveFunctions/SPOSet.h | 4 ++-- 5 files changed, 6 insertions(+), 6 deletions(-) diff --git a/src/QMCWaveFunctions/BsplineFactory/SplineR2R.cpp b/src/QMCWaveFunctions/BsplineFactory/SplineR2R.cpp index 332f799fcb..20961ef4c6 100644 --- a/src/QMCWaveFunctions/BsplineFactory/SplineR2R.cpp +++ b/src/QMCWaveFunctions/BsplineFactory/SplineR2R.cpp @@ -136,7 +136,7 @@ void SplineR2R::applyRotation(const ValueMatrix& rot_mat, bool use_stored_co for (IndexType j = 0; j < OrbitalSetSize; j++) { const auto cur_elem = Nsplines * i + j; - QTFull::ValueType newval{0.}; + FullPrecValue newval{0.}; for (IndexType k = 0; k < OrbitalSetSize; k++) { const auto index = i * Nsplines + k; diff --git a/src/QMCWaveFunctions/RotatedSPOs.cpp b/src/QMCWaveFunctions/RotatedSPOs.cpp index 0815484c5e..c1e26409de 100644 --- a/src/QMCWaveFunctions/RotatedSPOs.cpp +++ b/src/QMCWaveFunctions/RotatedSPOs.cpp @@ -957,7 +957,7 @@ void RotatedSPOs::evaluateDerivatives(ParticleSet& P, void RotatedSPOs::evaluateDerivativesWF(ParticleSet& P, const opt_variables_type& optvars, Vector& dlogpsi, - const QTFull::ValueType& psiCurrent, + const FullPrecValue& psiCurrent, const std::vector& Coeff, const std::vector& C2node_up, const std::vector& C2node_dn, diff --git a/src/QMCWaveFunctions/RotatedSPOs.h b/src/QMCWaveFunctions/RotatedSPOs.h index 6e4c45d525..1db4eecf7c 100644 --- a/src/QMCWaveFunctions/RotatedSPOs.h +++ b/src/QMCWaveFunctions/RotatedSPOs.h @@ -178,7 +178,7 @@ class RotatedSPOs : public SPOSet, public OptimizableObject void evaluateDerivativesWF(ParticleSet& P, const opt_variables_type& optvars, Vector& dlogpsi, - const QTFull::ValueType& psiCurrent, + const FullPrecValue& psiCurrent, const std::vector& Coeff, const std::vector& C2node_up, const std::vector& C2node_dn, diff --git a/src/QMCWaveFunctions/SPOSet.cpp b/src/QMCWaveFunctions/SPOSet.cpp index c11cadef25..42b6cf9d98 100644 --- a/src/QMCWaveFunctions/SPOSet.cpp +++ b/src/QMCWaveFunctions/SPOSet.cpp @@ -369,7 +369,7 @@ template void SPOSetT::evaluateDerivativesWF(ParticleSet& P, const opt_variables_type& optvars, Vector& dlogpsi, - const QMCTraits::QTFull::ValueType& psiCurrent, + const FullPrecValue& psiCurrent, const std::vector& Coeff, const std::vector& C2node_up, const std::vector& C2node_dn, diff --git a/src/QMCWaveFunctions/SPOSet.h b/src/QMCWaveFunctions/SPOSet.h index c99afc4f39..d86ba0a3c3 100644 --- a/src/QMCWaveFunctions/SPOSet.h +++ b/src/QMCWaveFunctions/SPOSet.h @@ -62,6 +62,7 @@ class SPOSetT using ComplexType = Complex; using Value = VALUE; using ValueType = Value; + using FullPrecValue = ValueAlias; using Grad = typename OrbitalSetTraits::GradType; using GradType = Grad; using ValueVector = typename OrbitalSetTraits::ValueVector; @@ -77,7 +78,6 @@ class SPOSetT using OffloadMWVArray = Array>; // [walker, Orbs] template using OffloadMatrix = Matrix>; - using QTFull = QMCTraits::QTFull; /** constructor */ SPOSetT(const std::string& my_name); @@ -188,7 +188,7 @@ class SPOSetT virtual void evaluateDerivativesWF(ParticleSet& P, const opt_variables_type& optvars, Vector& dlogpsi, - const QTFull::ValueType& psiCurrent, //FIXME it is still a compile time type + const FullPrecValue& psiCurrent, //FIXME it is still a compile time type const std::vector& Coeff, const std::vector& C2node_up, const std::vector& C2node_dn,