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minor change
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dreamer2368 committed Apr 19, 2024
1 parent 72242f7 commit 7c531d8
Showing 1 changed file with 2 additions and 3 deletions.
5 changes: 2 additions & 3 deletions src/md.cc
Original file line number Diff line number Diff line change
Expand Up @@ -693,10 +693,9 @@ OrbitalsType* MGmol<OrbitalsType>::loadOrbitalFromRestartFile(const std::string
Control& ct = *(Control::instance());
Mesh* mymesh = Mesh::instance();
const pb::PEenv& myPEenv = mymesh->peenv();
const pb::Grid& mygrid = mymesh->grid();
// const unsigned gdim[3] = { mygrid.gdim(0), mygrid.gdim(1), mygrid.gdim(2) };

assert(ct.restart_info > 2);
/* For now, we only consider double-precision hdf5 I/O. */
assert(ct.restart_info > 3);
assert((ct.AtomsDynamic() == AtomsDynamicType::MD) || (ct.AtomsDynamic() == AtomsDynamicType::Quench));

HDFrestart h5file(filename, myPEenv, ct.out_restart_file_type);
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