Fix_FitPartialCharges
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Last change
on this file since eaf08f was 87662aa, checked in by Frederik Heber <heber@…>, 9 years ago |
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TESTFIX: regression test fit-partial-charges needs to contains particles in section.
- removed XFAIL from this test.
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-
Property mode
set to
100644
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File size:
267 bytes
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| Rev | Line | |
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| [87662aa] | 1 | particles {
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| [a9099d] | 2 | particle: particle_type=H1, element_name=H, sigma=0, epsilon=0, sigma14=0, epsilon14=0, mass=0, free=3, charge=0.3682424148;
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| 3 | particle: particle_type=O1, element_name=O, sigma=0, epsilon=0, sigma14=0, epsilon14=0, mass=0, free=3, charge=-0.7367784158;
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| [87662aa] | 4 | }
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