From 060b5d3541c7840fba6b8175db7845193be5910a Mon Sep 17 00:00:00 2001 From: Daniele Rapetti <5535617+Iximiel@users.noreply.github.com> Date: Wed, 20 Nov 2024 14:37:03 +0100 Subject: [PATCH] removing some ordering mishap --- src/colvar/Torsion.cpp | 4 ++-- src/crystdistrib/Quaternion.cpp | 2 +- 2 files changed, 3 insertions(+), 3 deletions(-) diff --git a/src/colvar/Torsion.cpp b/src/colvar/Torsion.cpp index 2a9c6fb314..36b249f91a 100644 --- a/src/colvar/Torsion.cpp +++ b/src/colvar/Torsion.cpp @@ -145,10 +145,10 @@ void Torsion::registerKeywords(Keywords& keys) { Torsion::Torsion(const ActionOptions&ao): PLUMED_COLVAR_INIT(ao), - pbc(true), value(1), derivs(1), - virial(1) + virial(1), + pbc(true) { derivs[0].resize(6); std::vector atoms; std::vector v1; ActionAtomistic::parseAtomList("VECTOR1",v1); diff --git a/src/crystdistrib/Quaternion.cpp b/src/crystdistrib/Quaternion.cpp index d6f05bc327..8a3edc600a 100644 --- a/src/crystdistrib/Quaternion.cpp +++ b/src/crystdistrib/Quaternion.cpp @@ -145,7 +145,7 @@ Quaternion::Quaternion(const ActionOptions&ao): requestAtoms(atoms); } -void Quaternion::parseAtomList( const int& num, std::vector& t, ActionAtomistic* aa ) { +void Quaternion::parseAtomList(int num, std::vector& t, ActionAtomistic* aa ) { aa->parseAtomList("ATOMS",num,t); if( t.size()==3 ) aa->log.printf(" involving atoms %d %d %d\n",t[0].serial(),t[1].serial(),t[0].serial()); }