From 845b160608485d5dda8cf9ee3155fa07033fd59b Mon Sep 17 00:00:00 2001 From: HomesGH <55833544+HomesGH@users.noreply.github.com> Date: Fri, 29 Sep 2023 14:08:14 +0200 Subject: [PATCH] AutoPas writes full checkpoint for compatibility --- src/molecules/AutoPasSimpleMolecule.h | 11 +++++++++++ 1 file changed, 11 insertions(+) diff --git a/src/molecules/AutoPasSimpleMolecule.h b/src/molecules/AutoPasSimpleMolecule.h index bd5900bd96..aae8e51e97 100644 --- a/src/molecules/AutoPasSimpleMolecule.h +++ b/src/molecules/AutoPasSimpleMolecule.h @@ -292,13 +292,24 @@ class AutoPasSimpleMolecule final : public MoleculeInterface, public autopas::Pa } void writeBinary(std::ostream& ostrm) const override { + unsigned int cid = _component->ID() + 1; + double zero = 0.0; + double one = 1.0; ostrm.write(reinterpret_cast(&_id), 8); + ostrm.write(reinterpret_cast(&cid), 4); ostrm.write(reinterpret_cast(&(_r[0])), 8); ostrm.write(reinterpret_cast(&(_r[1])), 8); ostrm.write(reinterpret_cast(&(_r[2])), 8); ostrm.write(reinterpret_cast(&(_v[0])), 8); ostrm.write(reinterpret_cast(&(_v[1])), 8); ostrm.write(reinterpret_cast(&(_v[2])), 8); + ostrm.write(reinterpret_cast(&one), 8); // qw + ostrm.write(reinterpret_cast(&zero), 8); // qx + ostrm.write(reinterpret_cast(&zero), 8); // qy + ostrm.write(reinterpret_cast(&zero), 8); // qz + ostrm.write(reinterpret_cast(&zero), 8); // Lx + ostrm.write(reinterpret_cast(&zero), 8); // Ly + ostrm.write(reinterpret_cast(&zero), 8); // Lz } void clearFM() override {