source: tests/regression/Potential/SaveParseParticleParameters/pre/harmonic.particles@ 075357

AutomationFragmentation_failures Candidate_v1.6.1 ChemicalSpaceEvaluator Enhanced_StructuralOptimization_continued Exclude_Hydrogens_annealWithBondGraph ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_contraction-expansion Gui_displays_atomic_force_velocity PythonUI_with_named_parameters StoppableMakroAction TremoloParser_IncreasedPrecision
Last change on this file since 075357 was d7bb964, checked in by Frederik Heber <heber@…>, 9 years ago

ParseParticleParametersAction now uses TremoloPotentialFileParser.

  • TESTFIX: regression test SaveParseParticleParameters needs to contains particles in section. Modified harmonic.particles to have particle recored inside "particles" section. Removed XFAIL from this test.
  • Property mode set to 100644
File size: 128 bytes
Line 
1particles {
2 particle: particle_type=1, element_name=H, sigma=0, epsilon=0, sigma14=0, epsilon14=0, mass=1, free=3, charge=1;
3}
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