source: tests/Examples/PartialChargeFitting/post/water.particles@ ef7b4b

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Last change on this file since ef7b4b was 51662a, checked in by Frederik Heber <heber@…>, 9 years ago

Added Example with partial charge fitting to water molecule.
  • Property mode set to 100644
File size: 267 bytes
RevLine 
[51662a]1particles {
2 particle: particle_type=H1, element_name=H, sigma=0, epsilon=0, sigma14=0, epsilon14=0, mass=0, free=3, charge=-0.4097309307;
3 particle: particle_type=O1, element_name=O, sigma=0, epsilon=0, sigma14=0, epsilon14=0, mass=0, free=3, charge=0.9133840082;
4}
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