Changes between Version 27 and Version 28 of StoutData


Ignore:
Timestamp:
2017-09-16T11:15:49Z (5 weeks ago)
Author:
peter
Comment:

relax constraints on energy level indices, max number of TEMP points

Legend:

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  • StoutData

    v27 v28  
    5959The energies do not need to be in increasing order. The code will sort the level energies in the correct order, making sure the atomic data are correctly transposed as well.
    6060
    61 Field 1: The energy level index. These need to be strictly in increasing order, where the first level has index 1, the second index 2, etc.
     61Field 1: The energy level index. This may have any integer value, as long as it doesn't match the index of another level.
    6262
    6363Field 2: Energy in wavenumbers (cm^-1^).
    6464
    65 Field 3: Statistical weight (g).
     65Field 3: Statistical weight (g). This must be an integral number larger than zero.
    6666
    6767Field 4: State information (optional). This is a free-format string that needs to be enclosed in double quotes so that it can contain spaces. For atomic levels this will typically contain the electronic configuration followed by the term information. This information is saved in the comment section of each transition, and is therefore included in the **save line labels** output. So make sure something meaningful to the user is in there if the field is included.
     
    9191The collision data file, ''<element>_<ionstage>.coll'', has 2 possible types of data rows, '''Temperature''' rows and '''Collision Data''' rows.
    9292
    93 '''Temperature''' rows start with the keyword ''TEMP'', followed by the temperature data points in Kelvin.
     93'''Temperature''' rows start with the keyword ''TEMP'', followed by the temperature data points in Kelvin. This is currently limited to a maximum of 100 points, but it is not clear whether that limit is really needed.
    9494
    9595'''Collision Data''' rows start with two keywords (the first specifies the type of data, and the second the collider), followed by the lower the upper levels of the transition, and then the collision data values of the type specified by the keywords.
     
    104104
    105105Field 1: Type of Data:
     106  * TEMP = Temperature Scale
    106107  * CS = Collision Strengths (only for electron colliders)
    107108  * RATE = Rate Coefficients
    108109
    109 Field 2: Colliders:
     110Field 2: Colliders (only allowed if Field 1 is CS or RATE):
    110111  * ELECTRON = Electron
     112  * H = Atomic Hydrogen
    111113  * PROTON = Proton
    112   * H = Atomic Hydrogen
     114  * H+ = Proton
    113115  * HE = Atomic Helium
     116  * HE+ = Singly Ionized Helium
    114117  * HE+2 = Alpha particle
    115   * HE+ = Singly Ionized Helium
    116   * H2ORTHO = Molecular Hydrogen Ortho
    117   * H2PARA = Molecular Hydrogen Para
    118118  * H2 = Molecular Hydrogen (both Ortho and Para)
     119  * H2ORTHO = Molecular Hydrogen (only Ortho)
     120  * H2PARA = Molecular Hydrogen (only Para)
    119121
    120122== Masterlist files ==