source: tests/regression/Potential/FitPartialCharges/post/water.particles@ 6829d2

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Last change on this file since 6829d2 was 87662aa, checked in by Frederik Heber <heber@…>, 9 years ago

TESTFIX: regression test fit-partial-charges needs to contains particles in section.

  • removed XFAIL from this test.
  • Property mode set to 100644
File size: 267 bytes
Line 
1particles {
2 particle: particle_type=H1, element_name=H, sigma=0, epsilon=0, sigma14=0, epsilon14=0, mass=0, free=3, charge=0.3682424148;
3 particle: particle_type=O1, element_name=O, sigma=0, epsilon=0, sigma14=0, epsilon14=0, mass=0, free=3, charge=-0.7367784158;
4}
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