source: src/FunctionApproximation@ 6ffdf2

Fix_FitPotential_needs_atomicnumbers
Name Size Rev Age Author Last Change
../
unittests a13e21   9 years FrederikHeber REFACTOR: Removed many unused functions from Extractor namespace. - …
writeDistanceEnergyTable.hpp 2.1 KB 04cc7e   13 years FrederikHeber Added pretty printer for distance-energy tables. - added …
TrainingData.hpp 4.7 KB e1fe7e   11 years FrederikHeber FunctionModel now uses list_of_arguments to split sequence of subsets …
TrainingData.cpp 7.4 KB e1fe7e   11 years FrederikHeber FunctionModel now uses list_of_arguments to split sequence of subsets …
Makefile.am 3.6 KB 214240   13 years FrederikHeber FIX: Most of the includedirs were wrongly set. - each just needs to …
FunctionModel.hpp 6.3 KB e1fe7e   11 years FrederikHeber FunctionModel now uses list_of_arguments to split sequence of subsets …
FunctionArgument.hpp 5.6 KB 64bdfd   13 years FrederikHeber Changed Extractor's combineArguments() to neglect same arguments. - …
FunctionArgument.cpp 1.4 KB 691be4   13 years FrederikHeber FunctionArgument now contains charges, too, and rewrote Extractors …
FunctionApproximation.hpp 7.5 KB b40690   10 years FrederikHeber Fit..PotentialAction now allow setting maximum number of optimization …
FunctionApproximation.cpp 13.9 KB b40690   10 years FrederikHeber Fit..PotentialAction now allow setting maximum number of optimization …
Extractors.hpp 5.2 KB a13e21   9 years FrederikHeber REFACTOR: Removed many unused functions from Extractor namespace. - …
Extractors.cpp 16.1 KB a13e21   9 years FrederikHeber REFACTOR: Removed many unused functions from Extractor namespace. - …
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