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2020-05-12Improve documentation, now using a spell checkerJohannes Ranke2-6/+6
2020-05-11Avoid merge() and data.frame() in cost functionJohannes Ranke4-120/+128
also for deSolve and eigenvalue based solutions. This noticeably increases performance for these methods, see test.log and benchmark vignette.
2020-05-10Default to analytical for coupled models if availableJohannes Ranke3-137/+120
This revealed that transforming rates is necessary for fitting the analytical solution of the SFO-SFO model to the FOCUS D dataset. Benchmarks show that fitting coupled models with deSolve got a bit slower through the latest changes
2020-05-06Change implementation of analytical solutionsJohannes Ranke1-58/+62
Preparing for symbolic solutions for more than one compound
2020-04-04Add three functions to facilitate the use of nlmeJohannes Ranke2-176/+0
2020-04-03Compiled models article, reduce distractionsJohannes Ranke5-208/+542
- Added a section with platform specific notes on getting compiled models to work to the compiled models article - Don't return empty SFORB parameter list from endpoints() if there is no SFORB model - Avoid warnings when using standardized = TRUE in plot.mmkin()
2019-11-01Fix bug in yesterdays release, add methods for BICJohannes Ranke1-0/+0
2019-09-19Static documentation rebuilt by pkgdownJohannes Ranke1-0/+0
Use lazy = TRUE in the pd target for generating pkgdown documentation
2019-09-18Static documentation rebuilt by pkgdownJohannes Ranke3-6/+4
to check if the link to the pfm package is correctly generated by pkgdown after preparing the pfm package docs accordingly
2019-09-18Add url: tag to _pkgdown.ymlJohannes Ranke1-0/+0
Static documentation rebuilt by pkgdown
2019-09-18Further corrections of the twa vignetteJohannes Ranke3-334/+159
Static documentation rebuilt by pkgdown
2019-09-18Correct and rebuild docsJohannes Ranke2-3/+4
- Reconcile docs and code for max_twa_parent - Correct links to docs in twa vignette - Static documentation rebuilt by pkgdown
2019-09-18Add hockey stick formulas to maximum twa vignetteJohannes Ranke2-10/+391
2019-07-09Adaptations for gmkinJohannes Ranke1-0/+0
Address winbuilder check problems, update check log, update of static docs
2019-07-05Static documentation rebuilt by pkgdownJohannes Ranke2-2/+2
2019-07-04Update README and introductory vignetteJohannes Ranke3-29/+84
2019-07-04Address failures of CRAN checks, improve NEWSv0.9.49.5Johannes Ranke1-0/+0
Static documentation rebuilt by pkgdown
2019-07-03Update DESCRIPTION, improve NEWSJohannes Ranke1-0/+0
Static documentation rebuilt by pkgdown
2019-06-05Merge branch 'algorithm'Johannes Ranke1-0/+0
2019-06-05Add error model algorithm to outputJohannes Ranke1-0/+0
2019-06-04Additional algorithm "d_c", more tests, docsJohannes Ranke1-0/+0
The new algorithm tries direct optimization of the likelihood, as well as a three step procedure. In this way, we consistently get the model with the highest likelihood for SFO, DFOP and HS for all 12 new test datasets.
2019-05-24TypoJohannes Ranke1-1/+1
2019-05-08Add functionality to plot the error modelJohannes Ranke1-0/+0
by plotting squared residuals against predicted values, and showing the variance function used in the fitted error model. Rebuild docs
2019-05-07Fix hessian calculationsJohannes Ranke1-0/+0
Static documentation rebuilt by pkgdown
2019-05-07After the OLS step, use OLS parameter estimatesJohannes Ranke1-0/+0
- Fix the respective error in the code - Static documentation rebuilt by pkgdown
2019-05-03Improve error model fittingJohannes Ranke1-0/+0
Now we have a three stage fitting process for nonconstant error models: - Unweighted least squares - Only optimize the error model - Optimize both Static documentation rebuilt by pkgdown
2019-05-02Remove reference to archived kinfit packageJohannes Ranke6-290/+1676
from vignettes/mkin.Rmd Static documentation rebuilt by pkgdown
2019-05-02Prepare for CRAN releaseJohannes Ranke4-29/+35
- Skip long running tests on CRAN as well to avoid timeout on winbuilder - Don't install benchmark results in the package, they are only needed in the git repository - Don't run example in man/add_err.Rd as it takes > 10 s on winbuilder - Rebuild docs
2019-04-10Adapt tests, vignettes and examplesJohannes Ranke3-0/+4312
- Write the NEWS - Static documentation rebuilt by pkgdown - Adapt mkinerrmin - Fix (hopefully all) remaining problems in mkinfit
2019-04-04Direct error model fitting worksJohannes Ranke4-220/+1650
- No IRLS required - Removed optimization algorithms other than Port - Removed the dependency on FME - Fitting the error model 'obs' is much faster for the FOCUS_2006_D dataset and the FOMC_SFO model (1 second versus 3.4 seconds) - Vignettes build slower. Compiled models needs 3 minutes instead of 1.5 - For other vignettes, the trend is less clear. Some fits are faster, even for error_model = "const". FOCUS_Z is faster (34.9 s versus 44.1 s) - Standard errors and confidence intervals are slightly smaller - Removed code for plotting during the fit, as I hardly ever used it - Merged the two cost functions (using transformed and untransformed parameters) into one log-likelihood function
2019-02-26NAFTA SOP Attachment vignetteJohannes Ranke1-0/+243
Also: - Change rounding in print.nafta - Add dots argument to nafta() - Use cores=1 in examples - Restrict N in IORE model to values > 0
2019-01-31Restore NAMESPACEJohannes Ranke2-60/+389
which was accidentally overwritten by pkgdown -> roxygen
2018-09-14Remove two vignettes from the package but not from docsJohannes Ranke7-642/+3454
- Rebuild static documentation - Adapt test to new approach to two component error model where the model is inadequate
2018-07-18Correct references to the Rocke and Lorenzato modelJohannes Ranke4-539/+440
Rename 'sigma_rl' to 'sigma_twocomp' as the Rocke and Lorenzato model assumes lognormal distribution for large y. Rebuild static documentation.
2018-03-09Another rebuild of the static docsJohannes Ranke1-19/+19
Now with rbenchmark installed, to get results for the compiled_models vignette
2018-03-01Static documentation rebuilt using current pkgdown::build_site()Johannes Ranke2-347/+439
2018-01-16Updates in the FOCUS Z vignetteJohannes Ranke3-61/+50
To make the text consistent with the results produced by the current mkin version. Static documentation articles rebuilt by pkgdown::build_articles()
2018-01-14Load mkin quietly in vignettesJohannes Ranke9-74/+69
Static documentation articles rebuilt by pkgdown::build_articles()
2017-11-16Use html_vignette for FOCUS_D vignette, fix addressv0.9.46.3Johannes Ranke6-145/+67
Static documentation articles rebuilt by pkgdown::build_articles()
2017-11-16Update URLS in mkin vignetteJohannes Ranke1-2/+2
Static documentation except articles rebuilt by pkgdown
2017-09-14Convert FOCUS Z vignette to rmarkdown/htmlJohannes Ranke4-99/+542
- Static documentation rebuilt by pkgdown::build_articles() - DESCRIPTION: Version bump and current date
2017-07-21Fix another URL, vignette builder, rebuildJohannes Ranke8-64/+68
2017-07-21Recompile to get link in reference rightJohannes Ranke1-9/+13
2017-07-21Recompiled vignetteJohannes Ranke1-0/+0
2017-07-21Reduce vignette sizesJohannes Ranke4-366/+98
2017-07-21Fix the URL of FOCUS kineticsJohannes Ranke2-3/+3
2017-07-21Rename twa to max_twa_parent, update docsJohannes Ranke2-15/+25
2017-05-05Static docs except articles rebuilt with current pkgdownJohannes Ranke4-72/+78
2017-05-05Switch from microbenchmark to rbenchmarkJohannes Ranke2-112/+94
2017-03-28Change vignette format for twa vignette, update docsJohannes Ranke3-0/+185

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