From 404128856b33f379c483ea39956b3fe3bc3473c4 Mon Sep 17 00:00:00 2001 From: Perminder Singh Date: Mon, 15 Apr 2024 03:05:04 +0530 Subject: [PATCH] fix formatting Signed-off-by: Perminder Singh --- avogadro/qtplugins/forcefield/forcefield.cpp | 10 +++++----- 1 file changed, 5 insertions(+), 5 deletions(-) diff --git a/avogadro/qtplugins/forcefield/forcefield.cpp b/avogadro/qtplugins/forcefield/forcefield.cpp index 92d2d11615..041d8e83aa 100644 --- a/avogadro/qtplugins/forcefield/forcefield.cpp +++ b/avogadro/qtplugins/forcefield/forcefield.cpp @@ -241,12 +241,12 @@ void Forcefield::optimize() if (m_molecule == nullptr || m_method == nullptr) return; - if(!m_molecule->atomCount()){ - QMessageBox::information(nullptr, tr("Avogadro"), - tr("No atoms provided for optimization")); + if (!m_molecule->atomCount()) { + QMessageBox::information(nullptr, tr("Avogadro"), + tr("No atoms provided for optimization")); return; } - + // merge all coordinate updates into one step for undo bool isInteractive = m_molecule->undoMolecule()->isInteractive(); m_molecule->undoMolecule()->setInteractive(true); @@ -359,7 +359,7 @@ void Forcefield::energy() { if (m_molecule == nullptr || m_method == nullptr) return; - + int n = m_molecule->atomCount(); // we have to cast the current 3d positions into a VectorXd Core::Array pos = m_molecule->atomPositions3d();