Candidate_v1.6.1
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Last change
on this file was 16c6f7, checked in by Frederik Heber <heber@…>, 8 years ago |
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TESTFIX: Recreated fragmentation results and homology containers for all associated fragmentation and potential tests.
- TESTS: added way how to create .dat files for all fitting regression tests.
- TESTFIX: Removed again all XFAILs from tests parsing fragmentation results or
homologies.
- TESTFIX: needed to slightly modify fitted potential values and charges.
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Property mode
set to
100644
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File size:
266 bytes
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| 1 | particles {
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| 2 | particle: particle_type=H1, element_name=H, sigma=0, epsilon=0, sigma14=0, epsilon14=0, mass=0, free=3, charge=0.345141182;
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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=-0.6905946281;
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| 4 | }
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