From 30f3d5e88657ff13456fd833a8456cb0d493754d Mon Sep 17 00:00:00 2001 From: Will Bainbridge Date: Wed, 8 Jan 2020 12:53:48 +0000 Subject: [PATCH] molecule: Updated transformations for position data --- .../molecularDynamics/molecule/molecule/molecule.C | 8 +++----- 1 file changed, 3 insertions(+), 5 deletions(-) diff --git a/src/lagrangian/molecularDynamics/molecule/molecule/molecule.C b/src/lagrangian/molecularDynamics/molecule/molecule/molecule.C index 827785562e..fd3c551720 100644 --- a/src/lagrangian/molecularDynamics/molecule/molecule/molecule.C +++ b/src/lagrangian/molecularDynamics/molecule/molecule/molecule.C @@ -204,13 +204,11 @@ void Foam::molecule::transformProperties(const transformer& transform) transform.transformList(siteForces_); - vectorField sitePositions(sitePositions_ - position()); - transform.transformPosition(sitePositions, sitePositions); - sitePositions_ = sitePositions + position(); + sitePositions_ = transform.transformPosition(vectorField(sitePositions_)); - if (transform.translates() && special_ == SPECIAL_TETHERED) + if (special_ == SPECIAL_TETHERED) { - specialPosition_ += transform.t(); + specialPosition_ = transform.transformPosition(specialPosition_); } }