source: src/FunctionApproximation@ 11bab4

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 …
Extractors.cpp 16.9 KB 11bab4   9 years FrederikHeber Extractors now need a subgraph and the set of particle types.
Extractors.hpp 5.6 KB 11bab4   9 years FrederikHeber Extractors now need a subgraph and the set of particle types.
FunctionApproximation.cpp 13.9 KB b40690   10 years FrederikHeber Fit..PotentialAction now allow setting maximum number of optimization …
FunctionApproximation.hpp 7.5 KB b40690   10 years FrederikHeber Fit..PotentialAction now allow setting maximum number of optimization …
FunctionArgument.cpp 1.4 KB 691be4   13 years FrederikHeber FunctionArgument now contains charges, too, and rewrote Extractors …
FunctionArgument.hpp 5.6 KB be20db   9 years FrederikHeber ParticleType_t is now an unsigned int. - this allows direct use of …
FunctionModel.hpp 6.3 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 …
TrainingData.cpp 7.4 KB c93e58   9 years FrederikHeber FIX: TrainingData used charges instead of atomic numbers to recognize …
TrainingData.hpp 4.7 KB e1fe7e   11 years FrederikHeber FunctionModel now uses list_of_arguments to split sequence of subsets …
writeDistanceEnergyTable.hpp 2.1 KB 04cc7e   13 years FrederikHeber Added pretty printer for distance-energy tables. - added …
  • Property mode set to 040000
Note: See TracBrowser for help on using the repository browser.