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kisthep.util.Constants Class Reference

Static Public Attributes

static final double P0 = 1E05
 
static final double waterMeltingTemperature = 273.15
 
static final double roomTemperature = 298.0
 
static final double a0 = 0.529177211E-10
 
static final double kb = 1.380649E-23
 
static final double NA = 6.0221413E23
 
static final double R = NA * kb
 
static final double c = 2.99792458E8
 
static final double h = 6.6260696E-34
 
static final double convertCm_1ToM_1 =1.0E2
 
static final double convertCm_1ToKelvin = 100*c*h/kb
 
static final double convertHartreeToJoule_perMolec = 4.3597443e-18
 
static final double convertHartreeToJoule =convertHartreeToJoule_perMolec*NA
 
static final double convertCalToJoule =4.184
 
static final double convertAmuToKg =1.6605389E-27
 
static final double convertTorrToPa = 133.322368
 
static final double convertBarToPa = P0
 
static final double convertAtmToPa = 1.01325*P0
 
static final double convertJTocm_1 = 1.0/(kb * convertCm_1ToKelvin)
 
static final double convertTorr_1ToCm3Molec_1Kelvin_1 = R/(convertTorrToPa * NA * 1E-6)
 
static final double convertJToKCalPerMol = Constants.NA*1.0E-3/convertCalToJoule
 
static final double convertGHzToAmuBohr2 = Constants.h/ (1.0E09* 8 * Math.pow(Math.PI,2)*(Constants.convertAmuToKg*Math.pow(Constants.a0,2)))
 
static final double convertcm_1ToAmuBohr2 = Constants.h/ (8 * Math.pow(Math.PI,2)*c*100*(Constants.convertAmuToKg*Math.pow(Constants.a0,2)))
 
static final int minArraySize = 5
 
static final String kisthepMessage = "K i S T h e l P "
 
static final double inertiaEpsilon = 0.1
 
static final double massEpsilon = 0.001
 
static final double highEnergy = 1000.0
 
static final String askingLocationString ="Enter location "
 
static final String askingFileString ="FILE: "
 
static final double defaultScalingFactor = 1.0
 
static final double nullValue = 0.0
 
static final int stateDensity = 0
 
static final int stateSum = 1
 
static final double tMinDefault = roomTemperature
 
static final double tStepDefault = 1.0
 
static final double tMaxDefault = tMinDefault
 
static final int nStepDefault = 500
 
static final double pStepDefault = 0.1*P0
 
static final int GLPolynomiaDegree = 15
 
static final double MaxwBoltzMaxThresh = 1.0E-18
 
static final String g09FileType = "gaussian09"
 
static final String nwcFileType = "NWChem6.0"
 
static final String gms2012FileType = "gms2012"
 
static final String kInpFileType = "kisthepInput"
 
static final String sessionFile = "sessionFileType"
 
static final String csvOutputFile = "csvOutputFileType"
 
static final String anyAllowedDataFile = "anyAllowedData"
 
static final String unknownFile = "unknownFile"
 
static final String anyFile = "anyFile"
 
static final int mainPaneWidth = 1368
 
static final int mainPaneHeight = 1205
 
static String newLine = System.getProperty("line.separator")
 

The documentation for this class was generated from the following file: