RASPA3
3.0.12
A molecular simulation code for computing adsorption and diffusion in nanoporous materials
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InputReader Member List
This is the complete list of members for
InputReader
, including all inherited members.
componentOptions
InputReader
static
displayName
InputReader
forceField
InputReader
generalOptions
InputReader
static
InputReader
(const std::string inputFile)
InputReader
inputString
InputReader
numberOfBlocks
InputReader
numberOfCycles
InputReader
numberOfEquilibrationCycles
InputReader
numberOfInitializationCycles
InputReader
numberOfThreads
InputReader
optimizeMCMovesEvery
InputReader
parseBreakthrough
(const nlohmann::basic_json< nlohmann::raspa_map > &parsed_data)
InputReader
parseFitting
(const nlohmann::basic_json< nlohmann::raspa_map > &parsed_data)
InputReader
parseMixturePrediction
(const nlohmann::basic_json< nlohmann::raspa_map > &parsed_data)
InputReader
parseMolecularSimulations
(const nlohmann::basic_json< nlohmann::raspa_map > &parsed_data)
InputReader
parseUnits
(const nlohmann::basic_json< nlohmann::raspa_map > &parsed_data) (defined in
InputReader
)
InputReader
printEvery
InputReader
randomSeed
InputReader
rescaleWangLandauEvery
InputReader
restartFromBinary
InputReader
restartFromBinaryFileName
InputReader
simulationType
InputReader
SimulationType
enum name
InputReader
systemOptions
InputReader
static
systems
InputReader
temperature
InputReader
threadingType
InputReader
validateInput
(const nlohmann::basic_json< nlohmann::raspa_map > &parsed_data)
InputReader
writeBinaryRestartEvery
InputReader
writeEvery
InputReader
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