stable
v1.7.0
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Last change
on this file was dfe653, checked in by Frederik Heber <frederik.heber@…>, 2 months ago |
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TESTFIX: Finalizes evaluate stability regression test.
- recomputed the homology file for H2 and C3H8 for 20 MD steps in order
to provide a proper stability evaluation.
- DOC: extended userguide on how to obtain homologies in the first
place.
- TESTFIX: evaluate-stability lacked argument.
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Property mode
set to
100644
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File size:
132 bytes
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| Rev | Line | |
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| [dfe653] | 1 | educt1 educt2 energy_educts product1 product2 energy_products
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| 2 | C3H8 H2 -119.026 C2H6 CH4 -119.056
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| 3 | C3H8 H2 -119.026 C2H6 CH4 -119.056
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