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ajasja
/ 08-get-rotamers.ipynb
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October 7, 2016 20:17
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ajasja
/ switch-backend.ipynb
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September 18, 2014 14:27
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ajasja
/ mpld3_static_interactive.ipynb
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September 18, 2014 13:54
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ajasja
/ results.ipynb
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September 16, 2014 08:27
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ajasja
/ 06-Rotamers.ipynb
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August 26, 2014 18:34
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ajasja
/ 06-Rotamers.ipynb
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August 26, 2014 18:34
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ajasja
/ 04-PyRosseta-R1A-troubles.ipynb
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June 27, 2014 11:04
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ajasja
/ 01-PyRosseta-test.ipynb
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June 21, 2014 18:56
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| (* Produces compiled code for the Nelder-Mead algorithm with the objective function inlined. *) | |
| (* The objective function takes the form F[parametersToOptimize..,constantParameters] *) | |
| NelderMeadMinimize`Dump`CompiledNelderMead[ | |
| objectiveFunction_Function | objectiveFunction_CompiledFunction, vars : {__Symbol}, const: {__Symbol}, | |
| opts : OptionsPattern[NelderMeadMinimize`Dump`CompiledNelderMead] | |
| ] := | |
| NelderMeadMinimize`Dump`CompiledNelderMead[ | |
| objectiveFunction, vars, const | |
| opts | |
| ] = |
ajasja
/ gist:2312325
Created
April 5, 2012 16:26
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| (*Original implementation*) | |
| MakeInPeriodicCellOrig = | |
| Compile[{x, cellwidth}, | |
| First@Sort[{x, x - cellwidth, x + cellwidth}, | |
| Abs[#1] < Abs[#2] &], {{Sort[_], _Real}}, | |
| CompilationOptions -> {"ExpressionOptimization" -> True, | |
| "InlineCompiledFunctions" -> True, | |
| "InlineExternalDefinitions" -> True}, | |
| RuntimeAttributes -> {Listable}, | |
| "RuntimeOptions" -> "Speed" |