| 127 | } |
| 128 | |
| 129 | std::shared_ptr<ScriptBatch> ScriptAPI::begin_batch() { |
| 130 | simulation_.beginAtomBatch(); |
| 131 | return std::make_shared<ScriptBatch>(simulation_); |
| 132 | } |
| 133 | |
| 134 | float ScriptAPI::lj_min(const std::string& speciesA, const std::string& speciesB) const { |
| 135 | const std::optional<AtomData::Type> atomA = findAtomTypeBySymbol(speciesA); |
nothing calls this directly
no test coverage detected