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