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mattwthompson committed Nov 7, 2023
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Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions examples/virtual_sites/vsite_showcase.ipynb
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Expand Up @@ -436,15 +436,15 @@
" openmm_system: openmm.app.Simulation,\n",
" particle_positions: openmm.unit.Quantity,\n",
" minimize=False,\n",
") -> tuple[numpy.ndarray, unit.Quantity]:\n",
") -> tuple[numpy.ndarray, Quantity]:\n",
" \"\"\"\n",
" Calculate particle positions and potential energy of the a system.\n",
"\n",
" Parameters\n",
" ----------\n",
" openmm_topology: openmm.app.Topology, OpenMM Topology\n",
" openmm_system: openmm.app.System, OpenMM System\n",
" particle_positions: openff.units.unit.Quantity, (N, 3) array of positions in nanometers\n",
" particle_positions: openff.units.Quantity, (N, 3) array of positions in nanometers\n",
" minimize: bool, Whether or not to perform an energy minimization before calculating energy\n",
"\n",
" Returns\n",
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