{ "cells": [ { "cell_type": "markdown", "metadata": {}, "source": [ "# Analyzing a split MSTIS simulation\n", "\n", "Included in this notebook:\n", "\n", "* Opening split files and look at the data" ] }, { "cell_type": "code", "execution_count": 1, "metadata": { "collapsed": false }, "outputs": [], "source": [ "%matplotlib inline\n", "import matplotlib.pyplot as plt\n", "import openpathsampling as paths\n", "import numpy as np" ] }, { "cell_type": "code", "execution_count": 2, "metadata": { "collapsed": false }, "outputs": [ { "name": "stdout", "output_type": "stream", "text": [ "CPU times: user 7.65 s, sys: 127 ms, total: 7.78 s\n", "Wall time: 7.78 s\n" ] } ], "source": [ "%%time\n", "storage = paths.AnalysisStorage('mstis_data.nc')" ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "Analyze the rate with no snapshots present in the analyzed file" ] }, { "cell_type": "code", "execution_count": 3, "metadata": { "collapsed": false, "run_control": { "marked": false }, "scrolled": true }, "outputs": [], "source": [ "mstis = storage.networks.load(0)" ] }, { "cell_type": "code", "execution_count": 4, "metadata": { "collapsed": false }, "outputs": [], "source": [ "mstis.hist_args['max_lambda'] = { 'bin_width' : 0.02, 'bin_range' : (0.0, 0.5) }\n", "mstis.hist_args['pathlength'] = { 'bin_width' : 5, 'bin_range' : (0, 150) }" ] }, { "cell_type": "code", "execution_count": 5, "metadata": { "collapsed": false, "scrolled": false }, "outputs": [ { "name": "stdout", "output_type": "stream", "text": [ "CPU times: user 4.87 s, sys: 245 ms, total: 5.12 s\n", "Wall time: 4.96 s\n" ] }, { "data": { "text/html": [ "
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