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Merge pull request #2700 from rbberger/python_calls_refactor

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Python package refactor
This commit is contained in:
Axel Kohlmeyer
2021-04-07 13:35:53 -04:00
committed by GitHub
parent 4ba45ddd84 0ae75aabcd
commit 6909bc234a
9 changed files with 237 additions and 366 deletions
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4
unittest/formats/test_atom_styles.cpp
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@ -40,11 +40,7 @@
#elif defined(__GNUC__)
#if (__GNUC__ > 4) || ((__GNUC__ == 4) && (__GNUC_MINOR__ >= 9))
#pragma GCC optimize("no-var-tracking-assignments", "O0")
#else
#pragma GCC optimize("no-var-tracking-assignments")
#endif
#else
#define _do_nothing
#endif
#endif

26
unittest/formats/test_potential_file_reader.cpp
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@ -43,18 +43,20 @@ using utils::split_words;
// whether to print verbose output (i.e. not capturing LAMMPS screen output).
bool verbose = false;
const int LAMMPS_NS::PairSW::NPARAMS_PER_LINE;
const int LAMMPS_NS::PairComb::NPARAMS_PER_LINE;
const int LAMMPS_NS::PairComb3::NPARAMS_PER_LINE;
const int LAMMPS_NS::PairTersoff::NPARAMS_PER_LINE;
const int LAMMPS_NS::PairTersoffMOD::NPARAMS_PER_LINE;
const int LAMMPS_NS::PairTersoffMODC::NPARAMS_PER_LINE;
const int LAMMPS_NS::PairTersoffZBL::NPARAMS_PER_LINE;
const int LAMMPS_NS::PairGW::NPARAMS_PER_LINE;
const int LAMMPS_NS::PairGWZBL::NPARAMS_PER_LINE;
const int LAMMPS_NS::PairNb3bHarmonic::NPARAMS_PER_LINE;
const int LAMMPS_NS::PairVashishta::NPARAMS_PER_LINE;
const int LAMMPS_NS::PairTersoffTable::NPARAMS_PER_LINE;
#if __cplusplus < 201703L
constexpr int LAMMPS_NS::PairSW::NPARAMS_PER_LINE;
constexpr int LAMMPS_NS::PairComb::NPARAMS_PER_LINE;
constexpr int LAMMPS_NS::PairComb3::NPARAMS_PER_LINE;
constexpr int LAMMPS_NS::PairTersoff::NPARAMS_PER_LINE;
constexpr int LAMMPS_NS::PairTersoffMOD::NPARAMS_PER_LINE;
constexpr int LAMMPS_NS::PairTersoffMODC::NPARAMS_PER_LINE;
constexpr int LAMMPS_NS::PairTersoffZBL::NPARAMS_PER_LINE;
constexpr int LAMMPS_NS::PairGW::NPARAMS_PER_LINE;
constexpr int LAMMPS_NS::PairGWZBL::NPARAMS_PER_LINE;
constexpr int LAMMPS_NS::PairNb3bHarmonic::NPARAMS_PER_LINE;
constexpr int LAMMPS_NS::PairVashishta::NPARAMS_PER_LINE;
constexpr int LAMMPS_NS::PairTersoffTable::NPARAMS_PER_LINE;
#endif
class PotentialFileReaderTest : public LAMMPSTest {
};