ForceAnnealing_with_BondGraph_continued
Last change
on this file since 1050ac was 4782599, checked in by Frederik Heber <heber@…>, 14 years ago |
FIX: new regression test for PrincipalAxisSystemAction is prone to numerical instability.
- if we test for 0, 1e-17 is not a match ...
- renamed former subfolder 5 to PrincipalAxisSystem according to new naming
scheme.
- Action also now solves for the eigen system of the 3x3 inertia tensor and
prints eigenvalues.
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100644
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File size:
107 bytes
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1 | 3
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2 | Created by molecuilder on Thu Dec 30 10:10:30 2010
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3 | O 0 0 0
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4 | H 0.758602 0 0.504284
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5 | H 0.758602 0 -0.504284
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