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
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Last change
on this file since 075357 was 075357, checked in by Frederik Heber <frederik.heber@…>, 7 years ago |
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TEST: Adding Python test on ForceAnnealing using an Ising model with and without bondgraph.
- We are not done yet with implementing optimization using the bond graph. The
2-body Ising test on using bond graph reveals that we have a problem when
bonds need to shrink. In case of the test the updates from either side cancel
each other and there is no progress. For the 5-body Ising test convergence is
not monotone, probably also because of the need to proper deal with shrinking
bonds.
- TESTS: As Python ForceAnnealing test use numpy to compute damping_factor we
have added a check for numpy presence and skip tests otherwise.
- TESTFIX: Marked Python tests on ForceAnnealing using the bond graph as XFAIL
because of this.
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Property mode
set to
100644
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File size:
142 bytes
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| 1 | import sys
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| 2 |
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| 3 | try:
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| 4 | import numpy
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| 5 | numpy_present = True
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| 6 | except ImportError:
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| 7 | numpy_present = False
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| 8 |
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| 9 | sys.exit(numpy_present)
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