source: src/FunctionApproximation@ 29de39

Fix_FitPotential_needs_atomicnumbers
Name Size Rev Age Author Last Change
../
unittests c93e58   9 years FrederikHeber FIX: TrainingData used charges instead of atomic numbers to recognize …
Subgraph 29de39   9 years FrederikHeber tempcommit: Missing cstor to SubgraphEdge.
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 c93e58   9 years FrederikHeber FIX: TrainingData used charges instead of atomic numbers to recognize …
Makefile.am 3.7 KB ce0b0c   9 years FrederikHeber tempcommit: Changes to Makefile because of Subgraph move to …
FunctionModel.hpp 6.3 KB e1fe7e   11 years FrederikHeber FunctionModel now uses list_of_arguments to split sequence of subsets …
FunctionArgument.hpp 3.2 KB 4266eb   9 years FrederikHeber Moved SubgraphEdge over to FunctionApproximation and derived …
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 5.7 KB 96af51   9 years FrederikHeber tempcommit: Changes to PotentialSubgraph due to move.
Extractors.cpp 16.3 KB 6d08032   9 years FrederikHeber tempcommit: Replaced boost::adjacency_list by PotentialSubgraph.
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