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Scripts for processing of WRF-CHEM files to PALM dynamic driver.
Version: v.1.0

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The scripts are based on the (wrf-CAMx interface)[https://palm.muk.uni-hannover.de/trac/wiki/doc/app/iofiles/wrf_interface]
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Usage: palm_dynamic -c <config_name> [-w]
The optional parameter -w allows to skip horizontal and vertical
interpolation in case it is already done.
Example: python3 palm_dynamic.py -c augsburg_validation_summer_10
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The script requires name of the case configuration on the command line.
The corresponding configuration files are placed in subdirectory
"configuration" and they are named <config_name>.conf. The values which
agree with defaults need not be present in the user config. The file
palm_dynamic_init.py contains setting and calculation of standard 
initialization values for particular system and can be adjusted.
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Needed modules are:
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- numpy   (https://pypi.org/project/numpy)
- scipy   (https://pypi.org/project/scipy)
- pyproj  (https://pypi.org/project/pyproj)
- netCDF4 (https://pypi.org/project/netCDF4)
- metpy   (https://unidata.github.io/MetPy)

In the current version, the only supported projection in WRF-CHEM is
Lambertiam conformal conic, which is WRF default and recommended projection for
mid-latitudes.

The scripts support both variants of WRF-CHEM vertical levels - the sigma levels
(default until WRF version 3.*) and the hybrid levels (default since WRF 4.*).
However, it is necessary to correctly configure this option via the setting
"wrf_hybrid_levs = True/False".

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# CONFIGURATION
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Description of the particular configuration options are (defaults are in parenthesis):
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## 1. Domain and case related configurations
    - domain              name of the simulation case ("")
    - resolution          name of the particular domain resolution scenario ("")
    - scenario            name of the individual scenario in the case ("")
    - nested_domain       False indicates parent and True nested domain. (False)

    - dynamic_driver_file file name of output dynamic driver ("").
    - grid_from_static    True - the grid parameters are imported from the static driver, False - they are prescribed in the config (True)
    - static_driver_file  file name of the static driver in case of grid_from_static ("").
    - proj_palm           reference coordinate system of PALM simulation ("EPSG:32633")
    - proj_wgs84          reference coordinate system of lon-lat projection ("EPSG:4326")
    
    - dz                  height of the PALM vertical grid layer (0.0). The default value dz = 0.0 means dz is assigned from dx.
    - nz                  number of vertical layers of PALM domain (200)
    - dz_stretch_level    height in meters from which stretching of vertical levels starts in PALM (5000.0)
    - dz_stretch_factor   coefficient of the stretching of the vertical layers in PALM (1.0)
    - dz_max              max height of the stretched vertical layers (100.0)
    
    - origin_time         origin time of the PALM simulation in the format YYYY-MM-DD hh:mm:ss (""). The default value "" means that the value is read from the global attribute of the static driver.
    - simulation_hours    extent of the simulation in hours

## 2. WRF-CHEM related configurations

wrf_dir_name        file path of the wrf-chem input files ("").
wrf_file_mask       file mask of the wrf-chem input files  ("wrfout_*.e000")
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wrf_hybrid_levs     True means hybrid levels in WRF files, False means sigma levels (True).
vinterp_terrain_smoothing
                    the standard deviation for Gaussian kernel of smoothing method of
                    the PALM terrain for WRF vertical interpolation to avoid sharp
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                    horizontal gradients. Value None disables the smoothing. (None)
interp_dir_name     file path to interpolated files

wrfchem_spec        wrf-chem chemical species to be included in dynamic driver, list
                    of gaseous species: no, no2, no3, pm10, PM2_5_DRY, o3, co, hno3, ho, h2o2, nh3

aerosol_wrfchem     True means aerosols are included, (False)
wrfchem_bin_limits  wrf-chem aerosol siz bins ([3.9e-8, 1.56e-7, 6.25e-7, 2.5e-6, 1.0e-5])
listspec            PALM aerosol species, only aerosols, 
                    options listspec = ['SO4', 'OC', 'BC', 'DU', 'SS', 'NH', 'NO']
nbin                SALSA parameter, # size bins in subrange ([1,7])
reglim              SALSA parameter, subrange limits ([3.9e-8, 5.0e-8, 2.5e-6])
nf2a                SALSA parameter, insoluble fraction, currently only soluble supported
                    in PALM (1.0)
                 
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radiation_from_wrf  enable or disable processing of radiation from WRF files (True).
wrf_rad_file_mask   file mask of the wrf radiation input files ("auxhist6_*").
                    The default setting reads radiation from WRF auxiliary
                    history files. This setting allows to use finer time step for WRF
                    radiation outputs than for other values.
radiation_smoothing_distance
                    smoothing distance for radiation values in m (10000.0).

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## 3. Horizontal parameters of the PALM domain which have to be set in case of grid_from_static = False

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nx, ny              number of horizontal grids of the domain in x and y directions
dx, dy              grid cell size of the domain in x and y directions
origin_x, origin_y  origin x and y of the domain
origin_z            origin of the domain in the vertical direction


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###  Major Changes from wrf + CAMx scripts made to wrf_chem_for_palm
- Proj future warning resolved
- Chemical species are read from wrf-chem files and interpolated at the same time as the dynamic variables
- Interpolated files are saved to a different directory than the wrf-chem data files
- A variety of chemical species can be inlcuded.
- Aerosols can be included and are weighted based on specified aerosol size bins
- Base state temperature corrected to 290. for WRFChem
- Changes to palm_dynamic_output were made to include the various aerosol and chemical species