q_auto - new python script

commit  92127db2a085f378440653c6a56c5cfc06fc038b (May 21, 2025)

commit 986c0d63d17fea38fa3801fa335f788090cbc8c4

Author: Piotr A. Zolnierczuk <zolnierczukp@ornl.gov>

Date:   Wed Jul 3 15:39:02 2024 -0400

- [PZ] - introduced q_auto Python script, automatic q-binning

- [PZ] - python cleanup

- [PZ] - added missing test files

- [PZ] - added missing_latex.sh to a list of installed scripts

- [PZ] - adding framework for reading nexus files

commit  986c0d63d17fea38fa3801fa335f788090cbc8c4 (Jul 3, 2024)

- [PZ] updated install info

- [PZ] new logger, error_codes, academic exercide to make modules more orthogonal

        bins = q_edges

        ax1.set_xticklabels([])

    else:

        bins = np.linspace(qmin, qmax, bins)

        bins = np.linspace(qmin, qmax, bins+1)

    _, q_edges, _ = ax.hist(q, weights=w, bins=bins, histtype=histtype, **kwargs)

    parser.add_argument('--q-min', dest='qmin', type=float)

    parser.add_argument('--q-max', dest='qmax', type=float)

    parser.add_argument('--num-bins', '-n',  dest='nbins', type=int)

    parser.add_argument('--uniform',  '-u',  dest='uniform', action='store_true')

    parser.add_argument('--smooth' ,  '-s',  dest='smooth',  action='store_true')

    parser.add_argument('--uniform',  '-u',  dest='uniform', action='store_true',

                        help='create uniform prob. distribution')

    parser.add_argument('--smooth' ,  '-s',  dest='smooth',  action='store_true',

                        help='"smooth" prob. distribution')

    args = parser.parse_args()

    if args.smooth:

        args.uniform =True

    _ , (ax1, ax2) = plt.subplots(1,2, figsize=(12,6), sharey=True)