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2017-06-17Start with the generation of an input fileJohannes Ranke1-2/+13
2017-05-24Re-enable PELMO examples and testsJohannes Ranke1-6/+20
- Add .gitattributes to make sure CRLF line endings are kept for PELMO .psm files - Update static docs
2017-05-17Simplify tests where possibleJohannes Ranke1-11/+6
2017-05-16Add TWA concentrations for days > 1, fix linkJohannes Ranke1-14/+14
Now we have seven test calculations for the Step 1 calculator, all perfectly passing. This provides confidence that this is a correct reimplementation of the Step 1 part of the Step 1/2 calculator.
2017-05-16Finish the Step 1 calculator including testsJohannes Ranke2-16/+88
Some cleaning up. PELMO facilities do not currently work at my end, as I have no working wine installation on this computer
2017-05-15Start of an Steps 1/2 calculator in RJohannes Ranke1-0/+52
2017-01-30Test reproducing the FOCUS Summary informationJohannes Ranke1-1/+35
generated from the FOCUS PELMO GUI, as copied into the text files in the testdata directory.
2017-01-30Use relative tolerance of 1e-6 for flux testJohannes Ranke1-1/+3
to pass test also for more extreme situations as in the current test data.
2017-01-29Setting up PELMO runs, execution and evaluationJohannes Ranke1-18/+56
It all works!
2017-01-27Also test run with metabolitesJohannes Ranke1-30/+33
2017-01-27Set up FOCUS PELMO runs and run them in parallelJohannes Ranke2-0/+101
- This works on Linux using wine - PELMO runs (including pelmo.inp files) are correctly generated - The PLM files for FOCUS Pesticide_D in the test data archive are correctly reproduced - The data files (including FOCUS groundwater scenario data) are now created and documented in R files
2017-01-19Move mkin::twa to pfm::max_twa.mkinfitJohannes Ranke1-0/+11
- Add max_twa.mkinfit() recently introduced to mkin as mkin::twa() but never released with it - Add a test to check max_twa.one_box() against analytical solutions in max_twa.mkinfit(). - Clean up R CMD check - Update docs
2016-09-27Reorganise repository using standard package layoutJohannes Ranke12-0/+262

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