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import numpy as np def MM(i,j,e,A,B,C,a,b): ''' Recursive definition of Hermite Gaussian coefficients. Returns a float. a: orbital exponent on Gaussian 'a' (e.g. alpha in the text) b: orbital exponent on Gaussian 'b' (e.g. beta in the text) i,j: orbital angular momentum number on Gau...
fhqgfss/MoHa
moha/system/integral/multipole_moment.py
Python
mit
2,994
[ "Gaussian" ]
96872ba3c820fd8399288ccd1b8730ec90deb501b396620145a638eaa3d2792c
#! /usr/bin/env python import os,sys gaff=['br', 'c', 'c1', 'c2', 'c3', 'ca', 'cc', 'cd', 'ce', 'cf', 'cg', 'cl', 'cp', 'cx', 'cy', 'f', 'h1', 'h2', 'h3', 'h4', 'h5', 'ha', 'hc', 'hn', 'ho', 'hs', 'i', 'n', 'n1', 'n2', 'n3', 'na', 'nb', 'nc', 'nd', 'ne', 'nf', 'nh', 'no', 'o', 'oh', 'os', 'p5', 's', 's4', 's6', 'sh', '...
platinhom/DailyTools
scripts/GetTypeAreaPQRTA.py
Python
gpl-2.0
2,131
[ "Amber" ]
05797e20fb00ce30afd4747112d312bcddace8dc3d8731f9116c150d08583d76
#!/usr/bin/env python3 #* This file is part of the MOOSE framework #* https://www.mooseframework.org #* #* All rights reserved, see COPYRIGHT for full restrictions #* https://github.com/idaholab/moose/blob/master/COPYRIGHT #* #* Licensed under LGPL 2.1, please see LICENSE for details #* https://www.gnu.org/licenses/lgp...
harterj/moose
python/MooseDocs/test/common/test_has_tokens.py
Python
lgpl-2.1
724
[ "MOOSE" ]
8517390942d78ba993f911d643ee145561b7c01816f2fd586b0985ee70d0fe0d
# -*- coding: utf-8 -*- # vim: autoindent shiftwidth=4 expandtab textwidth=120 tabstop=4 softtabstop=4 ############################################################################### # OpenLP - Open Source Lyrics Projection # # ------------------------------------------------------...
marmyshev/item_title
openlp/plugins/alerts/lib/__init__.py
Python
gpl-2.0
2,181
[ "Brian" ]
48f75020115fbee183ea9efdceadbc7c89a0b8b52cb197aa3c685555b00487f9
from pycalphad import Database, Model, variables as v from pycalphad.tests.datasets import ROSE_TDB from pycalphad import equilibrium import numpy as np my_phases_rose = ['TEST'] comps = ['H', 'HE', 'LI', 'BE', 'B', 'C', 'N', 'O', 'F'] comps = sorted(comps) conds = dict({v.T: 1000, v.P: 101325}) for comp in comps[1:]:...
richardotis/pycalphad-sandbox
advconds.py
Python
mit
498
[ "pycalphad" ]
73306102dce9a73e7a2efc7bf2d586ff59d776d69652222f3f62afb92a0e0bc0
# This file is part of askbot_fedmsg. # Copyright (C) 2013 Red Hat, Inc. # # fedmsg is free software; you can redistribute it and/or # modify it under the terms of the GNU Lesser General Public # License as published by the Free Software Foundation; either # version 2.1 of the License, or (at your option) any later ver...
fedora-infra/askbot-fedmsg
askbot_fedmsg.py
Python
lgpl-2.1
5,465
[ "VisIt" ]
c14e7ad1163e2c09055403db2690246b61423e71ab263a7cd3c59f8228340046
# Copyright 2015 The TensorFlow Authors. All Rights Reserved. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applica...
tntnatbry/tensorflow
tensorflow/python/ops/gradients_impl.py
Python
apache-2.0
37,291
[ "VisIt" ]
61b7f53f16f660a2ec01acc15db2b9c97092b50026e8b4f3ea8a0026e4903601
""" Examine the distribution of diffraction spot intensities. This module defines a class IntensityDist, with several methods for exploring the distribution of measured spot intensities in an X-ray diffraction experiment. The user may wish to use this information to inform decisions regarding the error model employed...
dials/dials
util/intensity_explorer.py
Python
bsd-3-clause
14,961
[ "CRYSTAL" ]
dbe2661802e2b7fea961a7493639af91641d3a0ba9fbbdf2c8badb2ab5f0aff3
# Copyright (c) 2020 PaddlePaddle Authors. All Rights Reserved. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by app...
luotao1/Paddle
python/paddle/fluid/dygraph/dygraph_to_static/call_transformer.py
Python
apache-2.0
2,985
[ "VisIt" ]
bb9ed08d407470379b7fca75efb809bb0dcbb229af85e1363a6a7446ee15e67b
# vclamptest.py --- # # Filename: vclamptest.py # Description: # Author: # Maintainer: # Created: Wed Feb 6 16:25:52 2013 (+0530) # Version: # Last-Updated: Sun Jun 25 14:47:22 2017 (-0400) # By: subha # Update #: 149 # URL: # Keywords: # Compatibility: # # # Commentary: # # Set up a voltag...
BhallaLab/moose-examples
traub_2005/py/vclamptest.py
Python
gpl-2.0
4,772
[ "MOOSE", "NEURON" ]
38a29fdd1ef4631789ee009a54d9ded0749d8573903ca80f411f4faf29f56200
from random import random import math def sigmoid(x): return 1/(1 + math.exp(-x)) def th(x): return (math.exp(x) - math.exp(-x)) / (math.exp(x) + math.exp(-x)) class _AbstractNeuron(): def __init__(self): self.out = 0 self.w = [] self.w0 = 0 self.dw = [] self.dw0...
zshimanchik/unconditioned-reflexes
NeuralNetwork/Neuron.py
Python
mit
1,726
[ "NEURON" ]
ce2aa0f23bf362950e70408883c9dfe64bb9285a0040378e3af4216a96a69f4f
import numpy as np import numpy.linalg as nl import numpy.random as nrnd def log_sum_exp(X): """ Computes log sum_i exp(X_i). Useful if you want to solve log \int f(x)p(x) dx where you have samples from p(x) and can compute log f(x) """ # extract minimum X0 = np.min(X) X_without_X0 = np...
karlnapf/kernel_exp_family
kernel_exp_family/tools/numerics.py
Python
bsd-3-clause
2,797
[ "Gaussian" ]
6a0c2bc0e5c958c2526e0d07b7d3051abc747c7cf610fadccb03628f79ceef03
import os import time from simtk.openmm import app import simtk.openmm as mm from simtk import unit as u from fah_parameters import * def write_file(filename, contents): with open(filename, 'w') as outfile: outfile.write(contents) rundir = "./RUNS_NVT/RUN0/" nclones = 500 system_filename = os.path.join(r...
kyleabeauchamp/fah-projects
code/packaging_nvt.py
Python
gpl-2.0
1,730
[ "OpenMM" ]
f731ac7f5d918ba78c4cc7620f9b4b0e06cc94d5f36823bde2ed619c43c7a7c0
#!/usr/bin/env python import commands, sys # Get path of the toolbox status, path_sct = commands.getstatusoutput('echo $SCT_DIR') # Append path that contains scripts, to be able to load modules sys.path.append(path_sct + '/scripts') from msct_parser import Parser import sct_utils as sct # DEFAULT PARAMETERS class...
3324fr/spinalcordtoolbox
dev/tamag/old/sct_function_preprocessing.py
Python
mit
5,437
[ "Gaussian" ]
e2c109fe87c9c1c350d7dca0304a547151b34be04db55f11f2312e025fedbcd8
#!/usr/bin/env python # -*- coding: utf-8 -*- # pyqt4topyqt5.py # Nov. 12 2013 # Author: Vincent Vande Vyvre <vincent.vandevyvre@swing.be> # Copyright: 2013 Vincent Vande Vyvre # Licence: LGPL3 import os import glob import re import shutil import argparse import sys import tokenize import subprocess import stat from...
rferrazz/pyqt4topyqt5
pyqt4topyqt5/__init__.py
Python
lgpl-3.0
97,910
[ "VisIt" ]
be0b112871bd5bda97ae95a49545305cacc65a6aae38685a06e70543dcb46a50
import re import os, sys import numpy as np import pandas as pd import networkx as nx from networkx.drawing.nx_agraph import graphviz_layout def add_graphics_theme_to_nx_graph( nx_graph, edge_color=None, node_size_factor=50, edge_size_factor=500): """adjust nodes and edges "...
vervacity/ggr-project
scripts/analyze.mpra_summ_w_tfs.py
Python
mit
6,736
[ "Cytoscape" ]
b09f9c881d27bab9206755adae4abcf052fbeb5e28b3c336485fcafa7bf109b2
""" Core visualization operations based on Mayavi. Actual implementation of _Renderer and _Projection classes. """ # Authors: Alexandre Gramfort <alexandre.gramfort@inria.fr> # Denis Engemann <denis.engemann@gmail.com> # Martin Luessi <mluessi@nmr.mgh.harvard.edu> # Eric Larson <larson.eric...
olafhauk/mne-python
mne/viz/backends/_pysurfer_mayavi.py
Python
bsd-3-clause
22,459
[ "Mayavi", "VTK" ]
1d146fd066c4460663e4fe3eef6eac957731d453d7f6bd81ced16ed386af71b0
######################################################################## # $HeadURL $ # File: CleanReqDBAgent.py # Author: Krzysztof.Ciba@NOSPAMgmail.com # Date: 2013/05/17 08:31:26 ######################################################################## """ :mod: CleanReqDBAgent ===================== .. modul...
calancha/DIRAC
RequestManagementSystem/Agent/CleanReqDBAgent.py
Python
gpl-3.0
5,696
[ "DIRAC" ]
eece14a918044950a980e15ff56c9d43f39fdf0f504dfbbae141f361ea042504
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. from __future__ import unicode_literals import unittest import os from pymatgen.io.feff.sets import FeffInputSet from pymatgen.io.feff import FeffPot from pymatgen.io.cif import CifParser test_dir = os.path....
sonium0/pymatgen
pymatgen/io/tests/test_feffio_set.py
Python
mit
2,663
[ "FEFF", "pymatgen" ]
0fb4b9a4287ed6a4d28ecb992b715108dcd5a83eecdcab724d06046f6e07b9d0
#!/usr/bin/env python # Copyright 2014-2020 The PySCF Developers. All Rights Reserved. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # U...
gkc1000/pyscf
pyscf/solvent/test/test_ddcosmo_grad.py
Python
apache-2.0
41,443
[ "PySCF" ]
594204d0dfe521ee54336beb9417bf26dc6b1e0cb44ed9f7ae6b418f3b99d018
''' Significant lifting from https://jmetzen.github.io/2015-11-27/vae.html ''' import time import numpy as np import tensorflow as tf from tensorflow.python.ops import rnn import random import matplotlib.pyplot as plt import re, string from sklearn.feature_extraction.text import CountVectorizer from collections impo...
dricciardelli/vae2vec
vae_def_oh.py
Python
mit
37,009
[ "Gaussian" ]
5d46f9d699bb1958792ea1d08796c2c3adec0015af4ceaab9400c3bea868f94a
""" Modules used in building workflows """ import logging import re from galaxy import eggs eggs.require( "elementtree" ) from elementtree.ElementTree import Element import galaxy.tools from galaxy import exceptions from galaxy import model from galaxy.dataset_collections import matching from galaxy.web.framework i...
mikel-egana-aranguren/SADI-Galaxy-Docker
galaxy-dist/lib/galaxy/workflow/modules.py
Python
gpl-3.0
34,906
[ "Galaxy" ]
371cb2cc6c04d92c46a6b6bae7d667bf622ba3eea0772141b3d0ceb9390ae3d8
# -*- coding: utf-8 -*- from behave import given, then, when import selenium.webdriver.support.ui as ui @given("we have an existing user") def given_existing_user(context): context.test_user = { 'fullname': 'Alyssa P Hacker', 'email': 'alyssa@hacker.com', 'username': 'alyssa', 'pas...
hasgeek/lastuser
features/steps/login.py
Python
bsd-2-clause
1,508
[ "VisIt" ]
f2a672ac923452e40420c7aa627674cc592d91b001319adac16c47fbd06200c0
# GWR Bandwidth selection class #Thinking about removing the search method and just having optimization begin in #class __init__ #x_glob and offset parameters dont yet do anything; former is for semiparametric #GWR and later is for offset variable for Poisson model __author__ = "Taylor Oshan Tayoshan@gmail.com" fro...
CartoDB/crankshaft
release/python/0.8.2/crankshaft/crankshaft/regression/gwr/base/sel_bw.py
Python
bsd-3-clause
11,262
[ "Gaussian" ]
de777aecd7343677a4479d54a116bb6a1575ef6116fd374d7edf4d77f8ae9bf9
# Copyright (C) 2010 CAMd # Please see the accompanying LICENSE file for further information. """This module provides all the classes and functions associated with the evaluation of exact exchange with k-point sampling.""" from math import pi, sqrt import sys import numpy as np from ase import Atoms from ase.units i...
robwarm/gpaw-symm
gpaw/xc/hybridq.py
Python
gpl-3.0
16,684
[ "ASE", "GPAW" ]
fb9f35d1e9824d73ef566fb77a876378e9457ae6480d9d26fb7bd30f1e1ea750
#!/usr/bin/env python from setuptools import setup, find_packages from codecs import open from os import path # Version MAJOR="0" MINOR="5" MICRO="0" VERSION= MAJOR + "." + MINOR + "." + MICRO here = path.abspath(path.dirname(__file__)) with open(path.join(here,'README.md')) as f: long_description = f.read() # ...
mattcieslak/DSI2
setupApp.py
Python
gpl-3.0
4,592
[ "VTK" ]
1410f89fea75968b7f850530a241054415e907bf0a21cb70ee5feb9d63ddd05b
#!/usr/bin/python3 import sys def visited(node, path): return node in path class CycleFind(object): def __init__(self, graph, source, **kwargs): self.graph = graph self.source = source self.cycles = [] self.edges, self.weights = self.getEdges(graph) self.cyclelimit = k...
joequant/cycle-detector
cyclefind.py
Python
bsd-2-clause
3,465
[ "VisIt" ]
b4ba01c15ec3fa6c25215d78fd6318dd9c0f1961f13a8d45c6a6789fc5074f9f
# -*- coding: utf-8 -*- """Functions that expose information about templates that might be interesting for introspection. """ from . import nodes from ._compat import iteritems from ._compat import string_types from .compiler import CodeGenerator class TrackingCodeGenerator(CodeGenerator): """We abuse the code ge...
sserrot/champion_relationships
venv/Lib/site-packages/jinja2/meta.py
Python
mit
4,131
[ "VisIt" ]
423c9885f3510f74025e3049a623e5f4a82412419725b024094ab8f94af5d044
# Copyright (C) 2016 Collin Capano, Christopher M. Biwer, Alex Nitz # This program is free software; you can redistribute it and/or modify it # under the terms of the GNU General Public License as published by the # Free Software Foundation; either version 3 of the License, or (at your # option) any later version. # #...
cmbiwer/pycbc
pycbc/distributions/__init__.py
Python
gpl-3.0
8,268
[ "Gaussian" ]
fbf12f066c0325b607a45733abc4c056021899f1b3e6b3375aa252fbb68f40dc
"""RabbitMQAdmin module serves for the management of the internal RabbitMQ users database. It uses rabbitmqctl command. Only the user with the right permissions can execute those commands. """ import re from DIRAC import S_OK, S_ERROR import errno from DIRAC.Core.Utilities import Subprocess def executeRabbitmqc...
DIRACGrid/DIRAC
src/DIRAC/Core/Utilities/RabbitMQAdmin.py
Python
gpl-3.0
4,820
[ "DIRAC" ]
606ae4ede36d26c98c84287e6017c69379419dcbab91b3159d5784d1ed3a0c20
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. import numpy as np from .elastic import * from .tensors import * from .stress import * from .strain import *
matk86/pymatgen
pymatgen/analysis/elasticity/__init__.py
Python
mit
220
[ "pymatgen" ]
d1d7c21f6463e7211fcebcf9270420634a81a67cc124418a4af6fbff66ed9a0e
#!/usr/bin/env python # -*- coding: utf-8 -*- emoji_table = { ':smile:': u'😄', ':smiley:': u'😃', ':grinning:': u'😀', ':blush:': u'😊', ':relaxed:': u'☺️', ':wink:': u'😉', ':heart_eyes:': u'😍', ':kissing_heart:': u'😘', ':kissing_closed_eyes:': u'😚', ':kissing:': u'😗', ...
lord63/pyemojify
pyemojify/emoji.py
Python
mit
24,661
[ "Octopus" ]
7e93dbe5033a136727027c2f3b808035b5bf64d40b1310944a69244ac00b42b8
# Import smorgasbord import os import sys sys.path.insert(0, '../') import gc import pdb import time import math import random import re import copy import warnings import multiprocessing as mp import numpy as np import scipy.optimize import scipy.ndimage.measurements import scipy.stats import matplotl...
Stargrazer82301/CAAPR
CAAPR/CAAPR_Photom/CAAPR_Photom.py
Python
mit
58,770
[ "Galaxy" ]
a645da4eebfc17496a239e0d86efc47997aa14aefa9bf70a7e2c2883e43b6ebc
#!/usr/bin/env python import sys try: import moose except ImportError: print "ERROR: Could not import moose. Please add the directory containing moose.py in your PYTHONPATH" import sys sys.exit(1) has_pylab = True try: import pylab from matplotlib import numpy except ImportError: print 'Co...
BhallaLab/moose-thalamocortical
DEMOS/pymoose/pulsegen.py
Python
lgpl-2.1
3,288
[ "MOOSE" ]
2d90b38eccbba575f7d52eb16c3f4712d4122030d0b229b3bd9c608bc81c930f
# -*- coding: utf-8 -*- # # vmd.training.pers documentation build configuration file, created by # sphinx-quickstart on Thu Jul 2 09:48:47 2015. # # This file is execfile()d with the current directory set to its # containing dir. # # Note that not all possible configuration values are present in this # autogenerated f...
milieudefensie/vmd.training.pers
source/conf.py
Python
gpl-2.0
11,648
[ "VMD" ]
da245260ef2c5277322ebe1fc1b30cdf436683957ee0e0d9e5b63a747dc355b1
""" Instructor Dashboard Views """ import logging import datetime from opaque_keys import InvalidKeyError from opaque_keys.edx.keys import CourseKey import uuid import pytz from django.contrib.auth.decorators import login_required from django.views.decorators.http import require_POST from django.utils.translation imp...
ahmadiga/min_edx
lms/djangoapps/instructor/views/instructor_dashboard.py
Python
agpl-3.0
29,833
[ "VisIt" ]
b3417377fde7ee96005d494ba4de6c018f420b82c75e2af82ffad528924ce10f
import numpy as np import mymath as Mmath import scipy.optimize as spo import mydictionaries as Mdict r0 = 2**(1/6) # equilibrium distance for nearest neighbor npoints = 3000 rmin, rmax = 0.1, 2.0 # range for tabulated potential rvecmaster = np.linspace(rmin,rmax,npoints) r1bartry = 1.05 # use morse to 5% strain r1ba...
varun-rajan/python-modules
Obsolete/mdutilities_warnerpotential3d.py
Python
gpl-2.0
7,339
[ "LAMMPS" ]
3fe64bedc04ea6beed70e6fb5c69d907cb77b3de70546360ab51c6e2932a9ede
import matplotlib.pyplot as plt #%matplotlib inline import nengo import numpy as np import scipy.ndimage import matplotlib.animation as animation from matplotlib import pylab from PIL import Image import nengo.spa as spa import cPickle from nengo_extras.data import load_mnist from nengo_extras.vision import Gabor, Mas...
science-of-imagination/nengo-buffer
Project/mental_rotation_training_clockwise.py
Python
gpl-3.0
6,347
[ "NEURON" ]
15f7b1ad699203340775b2eb0178842809037b484621b6b5508576347b2b87f2
# Copyright (C) 2012,2013,2015,2016 # Max Planck Institute for Polymer Research # Copyright (C) 2008,2009,2010,2011 # Max-Planck-Institute for Polymer Research & Fraunhofer SCAI # # This file is part of ESPResSo++. # # ESPResSo++ is free software: you can redistribute it and/or modify # it under the ...
kkreis/espressopp
src/FixedTripleList.py
Python
gpl-3.0
3,429
[ "ESPResSo" ]
65e4a18c9dc97b58074d5a4250a6a9d6c8fb66614a925563427bcb2415d1e14a
#!/usr/bin/env python """verification_utils.py: IT contains a class which runs tests on moose internal data-structures to check if it is good for simulation. Last modified: Sun Feb 15, 2015 12:21PM """ from __future__ import print_function __author__ = "Dilawar Singh" __copyright__ = ...
rahulgayatri23/moose-core
python/moose/verification_utils.py
Python
gpl-3.0
10,069
[ "MOOSE" ]
f1e86205f2a0749564d2f686c88e34f634ec397c32804a3b53b8eaa1d24c5653
''' Created on Apr 28, 2011 @author: mkiyer ''' from chimerascan import pysam from math import log10 from string import maketrans def get_solexa_qual_conversion_table(): """ return a translation table that can be used by str.translate() for converting solexa to sanger quality scores """ offset = 6...
genome-vendor/chimerascan
chimerascan/lib/fastq_to_bam.py
Python
gpl-3.0
3,324
[ "pysam" ]
633319b282ed1d90048a3c9ed19b41111df37140848758b6e4e52a7cb5ad2775
# -*- coding: utf-8 -*- # # Copyright (c) 2017, the cclib development team # # This file is part of cclib (http://cclib.github.io) and is distributed under # the terms of the BSD 3-Clause License. """Unit tests for the CJSON writer.""" import json import os import unittest from math import sqrt import cclib __filed...
langner/cclib
test/io/testcjsonwriter.py
Python
bsd-3-clause
2,855
[ "ADF", "GAMESS", "cclib" ]
f4bee3221f030ec2e09a298dbd74206f166ddd9f15fb5a2f0c7dba7de7672e39
# Copyright 2013-2020 Lawrence Livermore National Security, LLC and other # Spack Project Developers. See the top-level COPYRIGHT file for details. # # SPDX-License-Identifier: (Apache-2.0 OR MIT) from spack import * class RStatmod(RPackage): """A collection of algorithms and functions to aid statistical mod...
rspavel/spack
var/spack/repos/builtin/packages/r-statmod/package.py
Python
lgpl-2.1
1,194
[ "Gaussian" ]
10f0adcbc7d44ba1b2a2a174427b35f8b551d681f48322a7ed7c3e20b212e1e7
############################################################################## # Copyright (c) 2013-2018, Lawrence Livermore National Security, LLC. # Produced at the Lawrence Livermore National Laboratory. # # This file is part of Spack. # Created by Todd Gamblin, tgamblin@llnl.gov, All rights reserved. # LLNL-CODE-64...
krafczyk/spack
var/spack/repos/builtin/packages/r-xvector/package.py
Python
lgpl-2.1
1,870
[ "Bioconductor" ]
d2816c160afbf59e30876f50133c1d55e59fa4423af6156c5a9debf9c78b0380
from shapes import * import random def main(): random.seed() # Create window main_window = Container(0, 600, 0, 250, 25) win = GraphWin("Neuron Mitochondria", main_window.xMax, main_window.yMax, autoflush=False) # Buffer values for model, label, and arrow containers model_label_buffer = 30 ...
heztet/bio110
main.py
Python
gpl-3.0
5,672
[ "NEURON" ]
897c246b2480d2c692637976afb813bbe6e2bec00825d4f2a271f14ab9bc99e0
# -*- coding: utf-8 -*- from __future__ import unicode_literals import base64 import hashlib import hmac import json import time import urllib2 from datetime import timedelta from django.conf import settings from django.contrib.auth.models import User, Group from django.core import mail from django.core.cache import ...
Stanford-Legal-Tech-Design/legaltech-rapidpro
temba/channels/tests.py
Python
agpl-3.0
78,039
[ "VisIt" ]
76893f7ec1e6f8cd433745e715660ec02324d45d683352cce25903c5f9b25558
import unittest from f90wrap import fortran, parser, transform from . import test_samples_dir class TestTransform(unittest.TestCase): def setUp(self): self.root = parser.read_files([str(test_samples_dir/'circle.f90')]) def test_resolve_interface_prototypes(self): ''' Verify procedures gets m...
jameskermode/f90wrap
test/test_transform.py
Python
lgpl-3.0
3,241
[ "VisIt" ]
d1e717f04f97a091d1bef003c582d8197162f4b75d9377e4d2d6d210fe419bbc
# 2-electron VMC code for 2dim quantum dot with importance sampling # Using gaussian rng for new positions and Metropolis- Hastings # Added energy minimization from math import exp, sqrt from random import random, seed, normalvariate import numpy as np import matplotlib.pyplot as plt from mpl_toolkits.mplot3d import A...
CompPhysics/ComputationalPhysics2
doc/Programs/ConjugateGradient/python/qdoteminim.py
Python
cc0-1.0
5,318
[ "Gaussian" ]
129a376f503f137e650056167eb88ea994310181022f6a42ace466c8a7eacc41
# Copyright 2009-2010 by Peter Cock. All rights reserved. # This code is part of the Biopython distribution and governed by its # license. Please see the LICENSE file that should have been included # as part of this package. # # This module is for reading and writing FASTQ and QUAL format files as # SeqRecord objects...
bryback/quickseq
genescript/Bio/SeqIO/QualityIO.py
Python
mit
76,159
[ "BioJava", "BioPerl", "Biopython" ]
f75d1a9c0e488b47a2b90330f0c76f285a2c2688907685213db8a624611b172d
#!/usr/local/bin/python3.4 # ----Copyright (c) 2016 Carnegie Hall | The MIT License (MIT)---- # ----For the full license terms, please visit https://github.com/CarnegieHall/quality-control/blob/master/LICENSE---- # argument 1 is the XML report import sys report = sys.argv[1] import xml.etree.ElementTree as ET tree =...
CarnegieHall/quality-control
mediaconch/mediaconch-xmlreport-summary.py
Python
mit
598
[ "VisIt" ]
7da44fbba3e32c4ac201b53a2f5253d64f7d63c009c85d08a4e8939348a8088d
# # Gramps - a GTK+/GNOME based genealogy program # # Copyright (C) 2007 Johan Gronqvist (johan.gronqvist@gmail.com) # copyright (C) 2007 Brian G. Matherly # # This program is free software; you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software ...
Nick-Hall/gramps
gramps/gen/filters/rules/person/_missingparent.py
Python
gpl-2.0
2,399
[ "Brian" ]
4249e015d227dbc47e27a05efe446632c553f299f93ccd53202444e2512608c1
# Copyright 2013-2017, Brian May # # This file is part of python-alogger. # # python-alogger is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation, either version 3 of the License, or # (at your option) any later ver...
Karaage-Cluster/python-alogger
alogger/tests/test_slurm.py
Python
gpl-3.0
1,193
[ "Brian" ]
554d423dffb37f8c31422ebbce68066d2ecf04f35400f7ae35e4f501b19a6125
#!/usr/bin/python #Audio Tools, a module and set of tools for manipulating audio data #Copyright (C) 2007-2012 Brian Langenberger #This program is free software; you can redistribute it and/or modify #it under the terms of the GNU General Public License as published by #the Free Software Foundation; either version 2...
Excito/audiotools
test/test_core.py
Python
gpl-2.0
195,644
[ "Brian" ]
cf7ad2cf58881aa85974d5aa59796763b047d02b53d04df06170e92f493b36b1
############################################################################## # Copyright (c) 2013-2017, Lawrence Livermore National Security, LLC. # Produced at the Lawrence Livermore National Laboratory. # # This file is part of Spack. # Created by Todd Gamblin, tgamblin@llnl.gov, All rights reserved. # LLNL-CODE-64...
wscullin/spack
var/spack/repos/builtin/packages/gaussian/package.py
Python
lgpl-2.1
3,390
[ "Gaussian" ]
8059ee52ce8547504d79cfbe6882ec355d67431e3fadd5bdd2c7fca7d128233a
# Copyright (C) 2018 # Max Planck Institute for Polymer Research # Copyright (C) 2016 # Jakub Krajniak (jkrajniak at gmail.com) # Copyright (C) 2012,2013 # Max Planck Institute for Polymer Research # Copyright (C) 2008,2009,2010,2011 # Max-Planck-Institute for Polymer Research & Fraunhofer SCAI ...
niktre/espressopp
src/interaction/TabulatedDihedral.py
Python
gpl-3.0
6,508
[ "ESPResSo" ]
e61e069d5380cac9a53f6f017b26a90537fc1a32696e6e37b8b601a1dd14dde4
#!/usr/bin/env python # -*- coding: iso-8859-1 -*- # Documentation is intended to be processed by Epydoc. """ Introduction ============ The Munkres module provides an implementation of the Munkres algorithm (also called the Hungarian algorithm or the Kuhn-Munkres algorithm), useful for solving the Assignment Problem...
maxkoryukov/headphones
lib/munkres.py
Python
gpl-3.0
24,729
[ "Brian" ]
06cd5bd01f6f9bf3f49b13c01e19b1d5974b83ad4900a8a3931028ec2eecc9da
import meshplex import numpy as np import pyamg from numpy import pi from sympy import sin import pyfvm from pyfvm.form_language import Subdomain, dS, dV, integrate, n_dot_grad def test(): class Gamma0(Subdomain): def is_inside(self, x): return x[1] < 0.5 is_boundary_only = True ...
nschloe/pyfvm
examples/poisson_example_test.py
Python
gpl-3.0
2,039
[ "VTK" ]
ae0ebe91537093d1376af5c21bc5e15a632a37c453722d6c52df9acad842f6db
#!/usr/bin/env python """ This is a Nipype pipeline for combining brain surface atlas labels. It will combine the surface labels in .annot format, and convert the labels to VTK format. https://mail.nmr.mgh.harvard.edu/pipermail//freesurfer/2010-June/014620.html `mris_translate_annotation <subject> <hemi> <in annot> ...
binarybottle/mindboggle_sidelined
relabel_atlas_pipeline.py
Python
apache-2.0
11,697
[ "VTK" ]
4c304941d487c58af036a54b1a74867ee7a863d88a71b921e2ddd24ce9c4faa3
# flake8: noqa import copy import math def distance(p0, p1): return math.sqrt(math.pow(p0[0] - p1[0], 2) + math.pow(p0[1] - p1[1], 2)) ############################################################################## # Diffing code from: # http://stackoverflow.com/a/6333972/784831 def dict_diff(merge, lhs, rhs): ...
LikeMyBread/Saylua
saylua/modules/adventure/dungeons/maps/meta/helpers.py
Python
agpl-3.0
12,080
[ "VisIt" ]
1e256afbfa93e92c9a00e96ecce6f390d4ebd536420ee2869e506d739b710f4b
#!/usr/bin/python # -*- coding: utf-8 -*- #2012 Bruno Chareyre <bruno.chareyre@hmg.inpg.fr> """Example usage of a TesselationWrapper object for getting microscale quantities.""" # See Catalano2013a for the definition of micro-strain # (http://dx.doi.org/10.1002/nag.2198 or free-access at arxiv http://arxiv.org/pdf/1304...
ThomasSweijen/yadesolute2
examples/tesselationwrapper/tesselationWrapper.py
Python
gpl-2.0
1,032
[ "VTK" ]
45b766b0bcd175d3dcb8b4da2cda0e24f1a0e51d55b0ced7136910ae92e5d12b
from __future__ import division, print_function import sys import os.path import optparse import os import tempfile import time import traceback import numpy as np from ase.io import read from ase.parallel import world from ase.utils import devnull from ase.constraints import FixAtoms, UnitCellFilter from ase.op...
askhl/ase
ase/cli/run.py
Python
gpl-2.0
11,700
[ "ASE" ]
a121e3735d9c39926c94d6decf6238b3135c9f211a7be82ffd606469f7019b56
# Copyright (c) 2021, TU Wien, Department of Geodesy and Geoinformation # All rights reserved. # Redistribution and use in source and binary forms, with or without # modification, are permitted provided that the following conditions are met: # * Redistributions of source code must retain the above copyright notice,...
TUW-GEO/ascat
tests/test_level2.py
Python
mit
17,088
[ "NetCDF" ]
76186c07fd480685592932db68c13ddad5fa810b62521e8fb19be1ee0dcca4ec
import os from setuptools import setup def read(file): return open(os.path.join(os.path.dirname(__file__), file)).read() setup( name="vsut", version="1.6", author="Alex Egger", author_email="alex.egger96@gmail.com", description="A simple unit testing framework for Python 3.4", license="MIT...
zillolo/vsut-python
setup.py
Python
mit
918
[ "VisIt" ]
ecf308b37971446f18623fbbf4cafd1dd135816ad58aa428b118df4874dbaa0f
# Copyright 2015 The TensorFlow Authors. All Rights Reserved. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applica...
jhseu/tensorflow
tensorflow/python/keras/optimizer_v2/learning_rate_schedule.py
Python
apache-2.0
38,681
[ "Gaussian" ]
5d62f9ecc9e74aaac4112c85f37657d8cd9f422f2afe44476ba255ce4ca08103
# -*- coding: utf-8 -*- ''' Copyright (c) 2018 by Tobias Houska This file is part of Statistical Parameter Optimization Tool for Python(SPOTPY). :author: Tobias Houska and Stijn Van Hoey ''' from __future__ import absolute_import from __future__ import division from __future__ import print_function from __future__ imp...
bees4ever/spotpy
spotpy/algorithms/sceua.py
Python
mit
17,408
[ "Gaussian" ]
9ab614b497dc88f604296b250a3d1a332bf5e9c2dc6e5f727478a055a190ebf5
import sys import unittest import os import tempfile from netCDF4 import Dataset import numpy as np from numpy.testing import assert_array_equal FILE_NAME = tempfile.NamedTemporaryFile(suffix='.nc', delete=False).name VL_NAME = 'vlen_type' VL_BASETYPE = np.int16 DIM1_NAME = 'lon' DIM2_NAME = 'lat' nlons = 5; nlats = 5...
Unidata/netcdf4-python
test/tst_vlen.py
Python
mit
7,675
[ "NetCDF" ]
9a2063abf4466f21b7ae7d6e31d7fd6900656cef7f8ab00bad2568bacfe87dfc
#!/usr/bin/python # # This source file is part of appleseed. # Visit http://appleseedhq.net/ for additional information and resources. # # This software is released under the MIT license. # # Copyright (c) 2010-2013 Francois Beaune, Jupiter Jazz Limited # Copyright (c) 2014-2017 Francois Beaune, The appleseedhq Organi...
gospodnetic/appleseed
scripts/updatemany.py
Python
mit
4,821
[ "VisIt" ]
8c277616f4b0c953ba75d95e6767b2537ae8fd53475457c828d67323663b1f18
#!/usr/bin/env python __author__ = 'Mike McCann' __copyright__ = '2013' __license__ = 'GPL v3' __contact__ = 'mccann at mbari.org' __doc__ = ''' Master loader for all March 2013 CANON-ECOHAB activities. Mike McCann MBARI 13 March 2013 @var __date__: Date of last svn commit @undocumented: __doc__ parser @st...
duane-edgington/stoqs
stoqs/loaders/CANON/loadCANON_march2013.py
Python
gpl-3.0
25,731
[ "NetCDF" ]
a50c1d1f284206959cbfee05ff387da7dcd752c9ee9f44f0e605649e96bf8c97
from datetime import datetime from flask import Flask, session from flask.ext.mosession import MoSessionExtension app = Flask(__name__) app.config['MONGODB_HOST'] = '127.0.0.1' app.config['MONGODB_PORT'] = 27017 app.config['MONGODB_DATABASE'] = 'session_test_db' mosession = MoSessionExtension(app) @app.route("/") d...
bayazee/flask-mosession
example/example.py
Python
bsd-3-clause
538
[ "VisIt" ]
dc5b3140ccb0abebc03724041375c2efcc28dad789076058ead6b8cb92080052
# inspired by some code by Nathan Denny (1999) # see http://www.ece.arizona.edu/~denny/python_nest/graph_lib_1.0.1.html try: # use reduce against BDFL's will even on python > 2.6 from functools import reduce except ImportError: pass class GraphException(Exception): """Base class for exception in the g...
arnaudsj/mdp-toolkit
mdp/graph/graph.py
Python
bsd-3-clause
13,020
[ "VisIt" ]
ae0d4f6f68b0425697e95bd22072b01e39d9248da07016e1977d06e8e1dd7a79
"""Bayesian Gaussian Mixture Models and Dirichlet Process Gaussian Mixture Models""" from __future__ import print_function # Author: Alexandre Passos (alexandre.tp@gmail.com) # Bertrand Thirion <bertrand.thirion@inria.fr> # # Based on mixture.py by: # Ron Weiss <ronweiss@gmail.com> # Fabian Ped...
toastedcornflakes/scikit-learn
sklearn/mixture/dpgmm.py
Python
bsd-3-clause
33,044
[ "Gaussian" ]
3a973c65404e3090a0a535fe60645c0d6701008bb683c3b0d209094bf511e9b9
# Copyright iris-grib contributors # # This file is part of iris-grib and is released under the LGPL license. # See COPYING and COPYING.LESSER in the root of the repository for full # licensing details. """ Integration tests for grib2 file loading. These tests load various files from iris-test-data, and compare the cu...
SciTools/iris-grib
iris_grib/tests/integration/load_convert/test_sample_file_loads.py
Python
lgpl-3.0
7,723
[ "Gaussian" ]
c8f21e2f9c3eb877410d0c75693837922168a8a0629d5b82eb3686cb39df5793
############################################################################### # Copyright 2017-2021 - Climate Research Division # Environment and Climate Change Canada # # This file is part of the "fstd2nc" package. # # "fstd2nc" is free software: you can redistribute it and/or modify # it under...
neishm/fstd2nc
fstd2nc/__init__.py
Python
lgpl-3.0
3,321
[ "NetCDF" ]
e57886c9b8cf922362bfc806012ce236eddac3479ddbb9010fbd0418d7172445
# # Calc_ElasticModuli_from_VTK.py # # Written by Matthew Priddy on March 17, 2015 # Some functions contributed by Noah Paulson # Input data also contributed by Noah Paulson # # Contact information: # Matthew W. Priddy: mwpriddy (at) gatech (dot) edu # mwpriddy (at) gmail (dot) com # # The purpose of...
mwpriddy/python_scripts_research
Calc_ElasticModuli_from_VTK/Calc_ElasticModuli_from_VTK.py
Python
mit
13,800
[ "VTK" ]
f54128d646f9deb370306032e52f50ed6cdbef372745494c2bde11e092f0f808
""" this file does variant calling for RNAseq """ #============= import required packages ================= import os import sys import subprocess sys.stdout = os.fdopen(sys.stdout.fileno(), 'w', 0) # disable buffer from f00_Message import Message from f01_list_trim_fq import list_files_human,Trimmomatic from f02_ali...
shl198/Projects
Human_GATK_vari_call/Human_GATK_RNA_vari_call.py
Python
mit
7,162
[ "BWA" ]
f84985e31e24e84fb40f7a8a164bc7ab0f03dbce8c47b1f3b62cffe1a72187c9
""" This function uses a connected telescope object to take a sequence of images for lightcurve studies. """ from astropy.io import fits from config import config import datetime import time import os import json import urllib.request import re from astroplan import Observer import astropy.units as u from astropy.time ...
yerkesobservatory/seo
routines/lightcurve.py
Python
gpl-3.0
21,037
[ "Galaxy" ]
5f29cd3f007cee4d598bff6082d788c59caef38c91a6dad0856667efa49bde6c
# Copyright (c) 2018, Xilinx, Inc. # All rights reserved. # # Redistribution and use in source and binary forms, with or without # modification, are permitted provided that the following conditions are met: # # 1. Redistributions of source code must retain the above copyright notice, # this list of con...
Xilinx/PYNQ
pynq/lib/video/clocks.py
Python
bsd-3-clause
24,085
[ "CRYSTAL" ]
d25d103ff18229328242fbec3ead9b13e28e57a03266913f2c7efc1e23226721
#!/usr/bin/env python # -*- coding: utf-8 -*- import vtk def main(): # Create two points, P0 and P1 p0 = [1.0, 0.0, 0.0] p1 = [0.0, 1.0, 0.0] lineSource = vtk.vtkLineSource() lineSource.SetPoint1(p0) lineSource.SetPoint2(p1) # Visualize colors = vtk.vtkNamedColors() mapper = vt...
lorensen/VTKExamples
src/Python/GeometricObjects/Line.py
Python
apache-2.0
1,017
[ "VTK" ]
9f0c44f71bb2233434f84e213768c9001b0d0214b3d18acda5ef13226bfa490b
#!/usr/bin/env python # coding: utf-8 # Example utilizing the **`LFPykit`** module (https://lfpykit.readthedocs.io, # https://github.com/LFPy/LFPykit) for predictions of extracellular # potentials using the line source approximation implementation # `LineSourcePotential` with a passive neuron model set up in Arbor # (...
halfflat/nestmc-proto
python/example/single_cell_extracellular_potentials.py
Python
bsd-3-clause
11,127
[ "NEURON" ]
ef1c610ec20c3660e6bcf3c0092562af6c7260b77ac6513d0fe7738d9ce95eab
import lldb max_depth = 6 #filters = {'_view': 'UIView *', '_layer': 'CALayer *', '_viewFlags': 'struct'} filters = {'_view': 'UIView *'} def print_value(var, depth, prefix): """ print values and recurse """ global max_depth local_depth = max_depth - depth pad = ' ' * local_depth name = var.GetNa...
mauricerkelly/dotfiles
development/lldbpy.symlink/views.py
Python
mit
2,085
[ "VisIt" ]
a41d70be4a7031a1655d284dd7113b73573341aff4ec44973703b2b0db2fcc42
""" SystemLoggingHandler is the implementation of the Logging service in the DISET framework. The following methods are available in the Service interface:: addMessages() """ __RCSID__ = "$Id$" from types import ListType, StringTypes from DIRAC import S_OK, S_ERROR, g...
vmendez/DIRAC
FrameworkSystem/Service/SystemLoggingHandler.py
Python
gpl-3.0
2,488
[ "DIRAC" ]
52d158b7f0081f06142812f68c8d4dce11a2d77223174cf8bd7198f405ae5f7d
import json import py class DummyS3Connection(object): _temp_path = py.path.local('/tmp') def __init__(self, **kwargs): pass def get_bucket(self, name): b = DummyS3Bucket(name=name, path=self._temp_path.join(name)) return b def get_all_buckets(self): for p in self._temp...
nocarryr/s3-logparser
tests/utils.py
Python
gpl-3.0
2,444
[ "VisIt" ]
cda5007175744a556420a61e31a28509466430b8b204df0d3a6125412be100f2
import collect_array as ca import collect_transformation_info as cti from processing import collect_device as cd class FindLoopArrays(object): def __init__(self): self.loop_arrays = dict() self.loop_arrays_parent = dict() def collect(self, ast): arr_to_ref = ca.ArrayNameToRef() ...
dikujepsen/OpenTran
v2.0/framework/unused/collect_boilerplate_info_unused.py
Python
mit
1,612
[ "VisIt" ]
938ea0ede095daa9d14a501a6ec1ae419e938c126fbb0cf9ebb5b3648e689a0a
# -*- coding: utf-8 -*- ''' Copyright (c) 2015 by Tobias Houska This file is part of Statistical Parameter Estimation Tool (SPOTPY). :author: Tobias Houska and the SALib team This class holds the Fourier Amplitude Sensitivity Test (FAST) based on Cukier et al. (1973) and Saltelli et al. (1999): Cukier, R. I., Fortu...
p-lauer/spotpy
spotpy/algorithms/fast.py
Python
mit
10,126
[ "Gaussian" ]
558403072ca91268ccf319825efd95ea609115832c73c04f871d79c044d5b516
import unittest import scipy import pysal import numpy as np from pysal.spreg import error_sp as SP class TestBaseGMError(unittest.TestCase): def setUp(self): db=pysal.open(pysal.examples.get_path("columbus.dbf"),"r") y = np.array(db.by_col("HOVAL")) self.y = np.reshape(y, (49,1)) X...
spreg-git/pysal
pysal/spreg/tests/test_error_sp.py
Python
bsd-3-clause
14,705
[ "COLUMBUS" ]
05cc8383f8633cd7d5bcbf280251d6ecc6200cd40a43d3e73012f69f59fe97fb
"""Forest of trees-based ensemble methods Those methods include random forests and extremely randomized trees. The module structure is the following: - The ``BaseForest`` base class implements a common ``fit`` method for all the estimators in the module. The ``fit`` method of the base ``Forest`` class calls the ...
hitszxp/scikit-learn
sklearn/ensemble/forest.py
Python
bsd-3-clause
55,028
[ "Brian" ]
cd82c4d3acd26272158e745af9be834542ce89acc6e516925a3eeaec747e2545
# Copyright (c) 2007 The Regents of The University of Michigan # Copyright (c) 2010 The Hewlett-Packard Development Company # All rights reserved. # # Redistribution and use in source and binary forms, with or without # modification, are permitted provided that the following conditions are # met: redistributions of sou...
austinharris/gem5-riscv
src/python/m5/stats/__init__.py
Python
bsd-3-clause
4,584
[ "VisIt" ]
8473f6730b39409281bbfab66df2d5e844c75ae8263ed61fb49ea2c85d6bae5e
# -*- encoding:utf-8 -*- from django.db import models from django.utils.translation import ugettext_lazy as _ class DataCenter(models.Model): """ A data center is a mapper to backend openstack cluster the config of project/user/password is for cloud-web api to create project and user """ id ...
eoncloud-dev/eonboard
eoncloud_web/biz/idc/models.py
Python
apache-2.0
2,462
[ "VisIt" ]
e24473e8b608ec5decac561782836ceb49cc26443373787ffc0d3a7017c157d4
# -*- coding: utf-8 -*- """Make hetionet exports.""" import os from random import choice import click import networkx as nx import pandas as pd from tqdm.autonotebook import tqdm from pybel import ( from_nodelink_gz, get_hetionet, to_bel_script, to_bel_script_gz, to_graphdati_file, to_graphd...
pybel/pybel
src/pybel/io/hetionet/cli.py
Python
mit
3,495
[ "Pybel" ]
a2f448564fde0d32c41d3c6115972baf5567777b59cd5ac3c2f03288393a0104
from base.twilltestcase import TwillTestCase from functional import database_contexts import galaxy.model from base.test_db_util import ( get_user, get_private_role, get_all_histories_for_user, get_latest_history_for_user, get_default_history_permissions_by_history, get_latest_dataset, refre...
mikel-egana-aranguren/SADI-Galaxy-Docker
galaxy-dist/test/functional/test_admin_features.py
Python
gpl-3.0
30,801
[ "Galaxy", "VisIt" ]
c2ad50ffbe5230a4b95a5967098a67263cfee42c77866c1b72441f18b41ce31d
#!/usr/bin/env python #========================================================================== # # Copyright Insight Software Consortium # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the Licen...
atsnyder/ITK
Utilities/Maintenance/BuildHeaderTest.py
Python
apache-2.0
5,160
[ "VTK" ]
7d15c04094790aaed0d1dde6adac0634ca6b88270c08b533b9f4388fdc3a8a7e
import argparse, os, sys, csv, heapq, string from automaton import * from bs4 import BeautifulSoup done = set() parser = argparse.ArgumentParser(description='Crawl Google Auto-Complete Query') parser.add_argument('filename') parser.add_argument('--query', action='append') parser.add_argument('--prefix', action='appe...
conceptcreative/free_grants_community
autocomplete/crawl_google_autocomplete.py
Python
mit
2,542
[ "VisIt" ]
b8c2cb3f38f6e32657cfef7327f0f719b8418e526ab4cf4fb2421061db334a36
from __future__ import with_statement, print_function __doc__ = \ """ This module defines an ASE interface to ParaGauss. """ import os, sys from os.path import basename from os.path import isfile import numpy as np2 from numpy import array, any from ase.gxfile import gxread, gxwrite from ase.units import Bohr, Hartree...
alexei-matveev/ase-local
ase/calculators/paragauss.py
Python
gpl-2.0
30,147
[ "ASE" ]
8485517205f4b170a76b100021559e181af1e31fbf1e8949a9d466a1c37c7585
# Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. import collections from pymatgen.core.units import ( ArrayWithUnit, Energy, EnergyArray, FloatWithUnit, Length, LengthArray, Mass, Memory, Time, TimeArray, Unit, UnitError, ...
vorwerkc/pymatgen
pymatgen/core/tests/test_units.py
Python
mit
8,777
[ "pymatgen" ]
60658d34947f00f070974808783dca745f3ba3798b46006fa52ce23336fe82bf
""" A first test for the ELBO on the diffusion problem. The target is consisted of an and a Gaussian likelihood. The approximating mixture has two components. Author: Panagiotis Tsilifis Date: 6/16/2014 """ import numpy as np import matplotlib.pyplot as plt import os import cPickle as pickle from scipy.st...
ebilionis/variational-reformulation-of-inverse-problems
unittests/test_optimize_diffusion_upperleft.py
Python
gpl-2.0
7,014
[ "Gaussian" ]
f5c370063e7e7f3576f2010653e414d2e8b00dd4df7c4089ed4f96644d5001b7
# coding: utf-8 from StringIO import StringIO import unicodecsv from grano.logic import Loader from grano.logic.schemata import import_schema # This source URL will be applied to all properties without their own lineage: DEFAULT_SOURCE_URL = 'http://www.opennews.org/' DATA = """fellow_name,twitter_handle,start_date...
clkao/grano
grano/test/fixtures.py
Python
mit
3,340
[ "Brian" ]
f1044d5d1e80ea4a193aa10ba4004983be0f3f88a92b3f9f9fc04114d3a43eb2
#!/usr/bin/python # check_glider_netcdf.py - Verifies that a glider NetCDF file from a provider # contains all the required global attributes, dimensions, scalar variables # and dimensioned variables. Prints out missing items. # # Returns: # 0 - File complies to NGDAC standard # 1+ - Number of errors # # By: Mi...
USF-COT/glider_netcdf_writer
scripts/scripts-bin/check_glider_netcdf.py
Python
mit
5,287
[ "NetCDF" ]
99d2f5778bda64b5f20450a4a89ccfed9d3729ea90b839f210d5ee4bd6ab62b8
# -*- coding: utf-8 -*- # TAMkin is a post-processing toolkit for normal mode analysis, thermochemistry # and reaction kinetics. # Copyright (C) 2008-2012 Toon Verstraelen <Toon.Verstraelen@UGent.be>, An Ghysels # <An.Ghysels@UGent.be> and Matthias Vandichel <Matthias.Vandichel@UGent.be> # Center for Molecular Modeling...
molmod/tamkin
tamkin/test/test_io.py
Python
gpl-3.0
28,786
[ "Avogadro", "CP2K", "CPMD", "Gaussian" ]
f64b9ae5fc4f0c6b51491881d4e5466f2a9df9718a41353f7d9e4b77a2eab474
""" Module for rendering bonds """ from __future__ import absolute_import from __future__ import unicode_literals import time import logging import functools import vtk import numpy as np from . import baseRenderer from . import povrayWriters from .. import utils from .. import _rendering from ...filtering import b...
chrisdjscott/Atoman
atoman/rendering/renderers/bondRenderer.py
Python
mit
8,568
[ "VTK" ]
bcda6c2e05718b1fe07383aef6810e180168c2b8d7bada03cf1713a15ba9bf72
# pylint: disable=C0111 # pylint: disable=W0621 import urllib from lettuce import world from django.contrib.auth.models import User, Group from student.models import CourseEnrollment from xmodule.modulestore.django import modulestore, clear_existing_modulestores from xmodule.contentstore.django import _CONTENTSTORE ...
LICEF/edx-platform
common/djangoapps/terrain/course_helpers.py
Python
agpl-3.0
2,503
[ "VisIt" ]
59b4c4afe5bda3d762bbddff07ee5ad785f5c1d6c3c56317ff6efea2aa41183f