From 186277b438a56ce4e1eb93f14677ef71473f3cb9 Mon Sep 17 00:00:00 2001 From: Paul Kent Date: Wed, 2 Feb 2022 17:04:12 -0500 Subject: [PATCH 1/2] Tidy nonlocal output --- src/QMCHamiltonians/NonLocalECPComponent.cpp | 11 +++++++---- 1 file changed, 7 insertions(+), 4 deletions(-) diff --git a/src/QMCHamiltonians/NonLocalECPComponent.cpp b/src/QMCHamiltonians/NonLocalECPComponent.cpp index 3c22ff3762..bad2e264eb 100644 --- a/src/QMCHamiltonians/NonLocalECPComponent.cpp +++ b/src/QMCHamiltonians/NonLocalECPComponent.cpp @@ -105,14 +105,17 @@ void NonLocalECPComponent::resize_warrays(int n, int m, int l) void NonLocalECPComponent::print(std::ostream& os) { - os << " Maximum angular mementum = " << lmax << std::endl; + os << " Maximum angular momentum = " << lmax << std::endl; os << " Number of non-local channels = " << nchannel << std::endl; for (int l = 0; l < nchannel; l++) os << " l(" << l << ")=" << angpp_m[l] << std::endl; os << " Cutoff radius = " << Rmax << std::endl; - os << " Spherical grids and weights: " << std::endl; - for (int ik = 0; ik < nknot; ik++) - os << " " << sgridxyz_m[ik] << std::setw(20) << sgridweight_m[ik] << std::endl; + if (outputManager.isActive(Verbosity::HIGH)) + { + os << " Spherical grids and weights: " << std::endl; + for (int ik = 0; ik < nknot; ik++) + os << " " << sgridxyz_m[ik] << std::setw(20) << sgridweight_m[ik] << std::endl; + } } NonLocalECPComponent::RealType NonLocalECPComponent::evaluateOne(ParticleSet& W, From c2bbf4f7463083e168e2b31360bbac1191d536c6 Mon Sep 17 00:00:00 2001 From: Paul Kent Date: Wed, 2 Feb 2022 17:20:25 -0500 Subject: [PATCH 2/2] Print no grid points by default --- src/QMCHamiltonians/NonLocalECPComponent.cpp | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/src/QMCHamiltonians/NonLocalECPComponent.cpp b/src/QMCHamiltonians/NonLocalECPComponent.cpp index bad2e264eb..380e85699e 100644 --- a/src/QMCHamiltonians/NonLocalECPComponent.cpp +++ b/src/QMCHamiltonians/NonLocalECPComponent.cpp @@ -110,9 +110,10 @@ void NonLocalECPComponent::print(std::ostream& os) for (int l = 0; l < nchannel; l++) os << " l(" << l << ")=" << angpp_m[l] << std::endl; os << " Cutoff radius = " << Rmax << std::endl; + os << " Number of spherical integration grid points = " << nknot << std::endl; if (outputManager.isActive(Verbosity::HIGH)) { - os << " Spherical grids and weights: " << std::endl; + os << " Spherical grid and weights: " << std::endl; for (int ik = 0; ik < nknot; ik++) os << " " << sgridxyz_m[ik] << std::setw(20) << sgridweight_m[ik] << std::endl; }