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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1 | function jac = jacmeyer(p, data1, data2)
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2 | n=16;
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3 | m=3;
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4 |
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5 | for i=1:n
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6 | ui=0.45+0.05*i;
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7 | tmp=exp(10.0*p(2)/(ui+p(3)) - 13.0);
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8 |
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9 | jac(i, 1:m)=[tmp, 10.0*p(1)*tmp/(ui+p(3)), -10.0*p(1)*p(2)*tmp/((ui+p(3))*(ui+p(3)))];
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10 | end
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