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Ferdinand: Translate R-matrix Evaluations

 Version 0.50
 Release: LLNL-CODE-831538

Ian Thompson

Needed libraries

Users to download. fudge version > 6 from github.com/LLNL/fudge, for example the tag at github.com/LLNL/fudge/releases/tag/6.1.0. Include fudge in PYTHONPATH.

Already included:
f90nml modified from github.com/marshallward/f90nml

For rreconstructLegendre.py, reconstructCrossSections.py and reconstructCrossSectionsBatching.py, users to download:
tensorflow from www.tensorflow.org/install.
For macs see developer.apple.com/metal/tensorflow-plugin/

Ferdinand

usage: ferdinand.py [-h] [-c COVFILE] [--noCov] [-i in-form] [-o outFile] [-v] [-d]
                    [-w] [-W] [-L LVALS [LVALS ...]] [-e ELASTIC] [-l Emin] [-u Emax]
                    [-D Edist] [-B Ebound] [-b B] [-a] [-G] [-E new_label] [-Q] [-g]
                    [-R REICHMOORE] [-x] [-r] [-f FILTER] [--nocm] [-A Eadjust]
                    [-F Efile] [-z] [-n NONZERO] [-V Eunit] [-6] [--lineNumbers]
                    [-p dE] [-P Ang Ang] [-t dE] [--Legendre LEGENDRE] [-M] [-C] [-S]
                    [--CN CN CN]
                    inFile finalformat

Translate R-matrix Evaluations. v0.50

positional arguments:

  inFile                The input file you want to translate. Formats: fresco, sfresco,
                        eda, amur, rac, endf, azure, gnd=gnds=xml, ..
  finalformat           Output source format: fresco, sfresco, eda, hyrma, endf, azure,
                        gnd=gnds=xml, tex.

optional arguments:

  -h, --help            show this help message and exit
  -c COVFILE, --covFile COVFILE
                        Input file with covariance matrix
  --noCov               Ignore input covariance matrices
  -i in-form, --initial in-form
                        Input source format: endf, gnd=gnds=xml=gnds.xml, fresco, eda,
                        amur, apar, rac, sfresco, sfrescoed, hyrma, azure, ... This is
                        expected suffix of input file
  -o outFile            Specify the output file. Otherwise use ``inFile`` with expected
                        suffix removed if present.
  -v, --verbose         Verbose output
  -d, --debug           Debugging output (more than verbose)
  -w, --rwa             Reading first makes GNDS with reducedWidthAmplitudes
  -W, --RWA             When reading azure files, amplitudes are already as reduced
                        width amplitudes, and B=-L.
  -L LVALS [LVALS ...], --Lvals LVALS [LVALS ...]
                        When reading fresco files, or writing EDA files, set partial
                        waves up to this list value in each pair.
  -e ELASTIC, --elastic ELASTIC
                        ResonanceReaction label of elastic particle-pair in input file
  -l Emin, --lower Emin
                        Lower energy of R-matrix evaluation
  -u Emax, --upper Emax
                        Upper energy of R-matrix evaluation
  -D Edist, --Distant Edist
                        Pole energy above which are all distant poles, to help with
                        labeling. Fixed in sfresco searches.
  -B Ebound, --Bound Ebound
                        Pole energy below which are all bound poles, to help with
                        labeling. Fixed in sfresco searches.
  -b B, --boundary B    Boundary condition in output: 'Brune'; '-L' or 'L' for B=-L; or
                        'X' for B=float(X).
  -a, --amplitudes      Convert intermediate gnd file stores to reduced width
                        amplitudes, not widths. If not -a or -G, leave unchanged.
  -G, --Gammas          Convert intermediate gnd file stores to formal widths, not
                        reduced width amplitudes. Overrides -a.
  -E new_label, --Elastic new_label
                        ResonanceReaction label of new elastic particle-pair after
                        transforming input.
  -Q, --Q               Allow elastic Q values to be non-zero.
  -g, --nogamma         Omit gamma channels
  -R REICHMOORE, --ReichMoore REICHMOORE
                        Add a Reich-Moore gamma channel with this value
  -x, --xReichMoore     Remove a Reich-Moore gamma channel
  -r, --noreac          Omit all nonelastic (reaction) channels
  -f FILTER, --filter FILTER
                        Filter of csv list of particle-pair-labels to include.
                        Overrides -g,-r options
  --nocm                No incoming transformations of cm-lab pole energies: for old
                        mistaken files
  -A Eadjust, --Adjust Eadjust
                        Adjust pole energies: give arithmetic function of E, such as
                        'E+5000 if E>2e6 else E'. Applied after any Barker but before
                        any Brune transformations
  -F Efile, --File Efile
                        Data file for reading R-matrix data
  -z, --zero            Omit zero widths
  -n NONZERO, --nonzero NONZERO
                        Replace zero widths by this value.
  -V Eunit, --Volts Eunit
                        Energy units for conversion after making gnds, before output
                        conversions. Not checked.
  -6, --p6              Limit energies and widths to ENDF6 precision.
  --lineNumbers         Add line numbers to ENDF6 format files
  -p dE, --pointwise dE
                        Reconstruct angle-integrated cross sections using Frescox for
                        given E step
  -P Ang Ang, --Pointwise Ang Ang
                        Reconstruct with -p the angle-dependent cross sections with
                        Frescox, given thmin, thinc (in deg).
  -t dE, --tf dE        Reconstruct angle-integrated cross sections using TensorFlow
                        for given E step. If E=0, use adaptive grid based on resonance
                        widths.
  --Legendre LEGENDRE   With --tf: output Legendre expansion for reconstructed cross
                        sections
  -M, --Ecm             Print poles in latex table in CM energy scale of elastic
                        channel.
  -C, --Comp            Print poles in latex table in CM energy scale of compound
                        nucleus.
  -S, --Squeeze         Squeeze table of printed poles in latex
  --CN CN CN            Spin and parity of compound nucleus, if needed

Standalone codes

eda_parfile.py
amur_file.py
gndtransform.py
rac_file.py
reconstructCrossSections.py
reconstructCrossSectionsBatching.py
reconstructLegendre.py

The reconstruct*py codes give pointwise reconstruction of R-matrix excitation functions on a uniform energy grid, or alternatively a grid started using resonance positions.

reconstructLegendre.py gives angular distributions on a discrete angular grid, or using Legendre expansions.

These methods use tensorflow if GPUs available, otherwise on CPUs using openmp.

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