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# -*- coding: utf-8 -*- # # Copyright (c) 2016, 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. """Calculate properties for electrons.""" import logging import numpy from .calculationmethod import Method class Ele...
Schamnad/cclib
src/cclib/method/electrons.py
Python
bsd-3-clause
1,269
[ "cclib" ]
0e0e7a99eb80412404f2e612e85c94144c7b061e6d2c06333c59aa99bab95612
# imports import pandas as pd import numpy as np import time import os from tabulate import tabulate import sys from operator import add from pyspark import SparkContext from pyspark.sql import SparkSession from pyspark.sql import SQLContext from pyspark.sql import functions as F #https://stackoverflow.com/questions/3...
kcrandall/Kaggle_Mercedes_Manufacturing
spark/experiements/niki/experiment1.py
Python
mit
13,526
[ "Gaussian" ]
134186991391b4e6bcb186c08d941642a13f9a1ab661e6f36bfc2c635ed7e35b
""" Support for cftime axis in matplotlib. """ import warnings import cftime import matplotlib.dates as mdates import matplotlib.ticker as mticker import matplotlib.transforms as mtransforms import matplotlib.units as munits import numpy as np from ._version import version as __version__ # noqa: F401 _DEFAULT_RESO...
SciTools/nc-time-axis
nc_time_axis/__init__.py
Python
bsd-3-clause
16,851
[ "NetCDF" ]
50591a061d00248a39fc48c3fe6da6c208374e4f536f5643b6f56a94dffa9654
#!/usr/bin/env python """ Reads a structure from a Gaussian Log file and other parameters from a Gaussian Com file and creates a new Gaussian Com. """ import argparse import sys import os # qt_scripts modules from omg.gaussian.gaussian import GaussianLog from omg.gaussian.gaussian import GaussianCom from omg.misc im...
eduardoftoliveira/oniomMacGyver
scripts/gau_log2com.py
Python
gpl-3.0
2,333
[ "Gaussian" ]
af3c45c6af400b52dadf3c510f9e02d9f86395a8d3432e8c663181de12ecb549
"""Script to combine ReferenceGenomes into a single one. """ import os from Bio import SeqIO from Bio.Alphabet.IUPAC import ambiguous_dna from django.core.exceptions import ObjectDoesNotExist from main.models import Dataset from main.models import ReferenceGenome from utils.import_util import add_dataset_to_entity f...
woodymit/millstone_accidental_source
genome_designer/utils/combine_reference_genomes.py
Python
mit
4,829
[ "Biopython" ]
ae8405f3d11e4fd13e2a593a60bb97d74baa427908c07ad021da1017fc41b0cd
from chemfiles import Trajectory file = Trajectory("filename.xyz") frame = file.read() print("There are {} atoms in the frame".format(len(frame.atoms))) positions = frame.positions # Do awesome science here with the positions if frame.has_velocities(): velocities = frame.velocities # If the file contains in...
chemfiles/chemfiles.github.io
src/code/example.py
Python
bsd-3-clause
383
[ "Chemfiles" ]
d5dd0985ac7e6c2063942a6884bb7084275c904caf55ad797729cc7aff614cee
# -*- coding: utf-8 -*- """ *==LICENSE==* CyanWorlds.com Engine - MMOG client, server and tools Copyright (C) 2011 Cyan Worlds, Inc. 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...
zrax/moul-scripts
Python/Kadish.py
Python
gpl-3.0
3,388
[ "VisIt" ]
a34e91586fc3b62881533cfe5de68d1c76a1faca05879b2c366821cb8af9d664
#!/usr/bin/env python2 """RNAalignment - a module to work with RNA sequence alignments. To see a full demo what you can do with this util, please take a look at the jupiter notebook (https://github.com/mmagnus/rna-pdb-tools/blob/master/rna_tools/tools/rna_alignment/rna_alignment.ipynb) Load an alignment in the Stockh...
m4rx9/rna-pdb-tools
rna_tools/tools/rna_alignment/rna_alignment.py
Python
mit
45,244
[ "Biopython" ]
28b7cbb9d31ed427759a6b5e1f435eb62da3fb2595483a1218f180e287d8aebf
""" Tests for xhr_handlers.py. """ import json import os import re import StringIO from django.contrib.auth import authenticate from django.contrib.auth.models import User from django.core.files.uploadedfile import UploadedFile from django.core.urlresolvers import reverse from django.http.request import HttpRequest f...
woodymit/millstone
genome_designer/main/tests/test_xhr_handlers.py
Python
mit
25,193
[ "BWA" ]
4aeddfc313aedaea480c7e70e1a0a466fd373c2ff0dfaba934000c133a642ab1
# =========================================================== # RV PLOTS # =========================================================== # =========================================================== # Plot RV timeseries # =========================================================== def plot_rv_t...
oscaribv/pyaneti
src/plot_rv.py
Python
gpl-3.0
12,995
[ "Gaussian" ]
85828293cd558555016990163bd244f52203cdb498555b5d85af5ca5024e5c9e
# coding: utf-8 """ Vericred API Vericred's API allows you to search for Health Plans that a specific doctor accepts. ## Getting Started Visit our [Developer Portal](https://developers.vericred.com) to create an account. Once you have created an account, you can create one Application for Production and an...
vericred/vericred-python
vericred_client/models/state_network_size_response.py
Python
apache-2.0
12,891
[ "VisIt" ]
c0637598387358186445136a44bd8e8dd996c9343394f9d13728e0957d50e57b
import mmap from bup import _helpers from bup.helpers import * MIDX_VERSION = 4 extract_bits = _helpers.extract_bits _total_searches = 0 _total_steps = 0 class PackMidx: """Wrapper which contains data from multiple index files. Multiple index (.midx) files constitute a wrapper around index (.idx) files ...
fengyuanjs/catawampus
tr/vendor/bup/lib/bup/midx.py
Python
apache-2.0
3,935
[ "exciting" ]
3956a10e63f3fe08a09ff74ea5465b63343db0ac09b562c19f4fcc46f5442e2e
from os import path, makedirs import itertools from netCDF4 import Dataset import sys import time from gusto.diagnostics import Diagnostics, Perturbation, SteadyStateError from firedrake import (FiniteElement, TensorProductElement, HDiv, DirichletBC, FunctionSpace, MixedFunctionSpace, VectorFunct...
firedrakeproject/dcore
gusto/state.py
Python
mit
26,831
[ "NetCDF" ]
531202d9194fc7899c42259819ec2fe953b001a816a02f302b4aacb26b8507b7
# proxy module from __future__ import absolute_import from mayavi.filters.mask_points import *
enthought/etsproxy
enthought/mayavi/filters/mask_points.py
Python
bsd-3-clause
95
[ "Mayavi" ]
158fe3c4f9cd1c64fdb2c2c327ea8ec5fa1303b4121ece6d1409b2b1e2e28b2e
#!/usr/bin/env python # By Jason Ladner from __future__ import division import sys, optparse, os, pysam, itertools #Identifies individual reads covering 2 positions of interest and records the combined genotypes #In version 2.0, starting saving read name info in order to handle R1 and R2 in a smarter way, but this ...
jtladner/Scripts
intraread_phasing/intraread_phasing_2.0.py
Python
gpl-3.0
6,122
[ "pysam" ]
20022008ed90a953001a6099c27e984f74c7997a91e7a23c22b3293844695f16
from pprint import pprint # import pytest from trackma.extras import AnimeInfoExtractor DEFAULTS = { 'resolution': '', 'hash': '', 'subberTag': '', 'videoType': [], 'audioType': [], 'releaseSource': [], 'extension': '', 'episodeStart': None, 'episodeEnd': None, 'volumeStart': ...
z411/trackma
tests/test_anime_info_extractor.py
Python
gpl-3.0
7,402
[ "Galaxy" ]
2ebb4461ab375ebbfaf261e25ac60d2a9e5bea39746550ba2c55e2c04c604536
''' Tests for pyleoclim.core.ui.MultipleSeries Naming rules: 1. class: Test{filename}{Class}{method} with appropriate camel case 2. function: test_{method}_t{test_id} Notes on how to test: 0. Make sure [pytest](https://docs.pytest.org) has been installed: `pip install pytest` 1. execute `pytest {directory_path}` in t...
LinkedEarth/Pyleoclim_util
pyleoclim/tests/test_ui_MultipleSeries.py
Python
gpl-3.0
13,572
[ "Gaussian" ]
80bd15cf1e383013a47dc0ea662dd536436588e7a5cc8ddd87ea8b63acf24d27
""" test_frost_number_bmi.py tests of the frost_number component of permamodel using bmi API """ import datetime import os import numpy as np import pytest from dateutil.relativedelta import relativedelta from pytest import approx from permamodel.components import bmi_frost_number_Geo, frost_number_Geo, perma_base ...
permamodel/permamodel
permamodel/tests/test_frost_number_Geo_bmi.py
Python
mit
11,868
[ "NetCDF" ]
57004a227c157d335e2348750812093ece6243b77a132dfaaf46150ab946e6bd
################################################################################ # Copyright (C) 2015 Jaakko Luttinen # # This file is licensed under the MIT License. ################################################################################ """ Unit tests for `gamma` module. """ import warnings warnings.simpl...
SalemAmeen/bayespy
bayespy/inference/vmp/nodes/tests/test_gamma.py
Python
mit
5,650
[ "Gaussian" ]
8e94e6c621b8426985ec58163fb31313abc22e8411d42e2ca70e994544c088e1
import lie_group_diffeo as lgd import odl import numpy as np action_type = 'geometric' transform_type = 'affine' space = odl.uniform_discr([-1, -1], [1, 1], [101, 101], interp='linear') coord_space = odl.uniform_discr([-1, -1], [1, 1], [101, 101], interp='linear').tangent_bundle # Select deformation type of the targ...
adler-j/lie_grp_diffeo
examples/diffemorphism_2d_tomo.py
Python
gpl-3.0
3,986
[ "Gaussian" ]
5baf5021c962c8751613066480a109218e407a8116cbb36850150d06e1b49b2b
import numpy as np from scipy.linalg import eig from mjhmc.samplers.algebraic_hmc import AlgebraicDiscrete, AlgebraicContinuous import matplotlib matplotlib.use('Agg') import matplotlib.pyplot as plt from exceptions import RuntimeError def get_eigs(sampler, order, steps=1000, energies=None): """Runs the sampler, r...
rueberger/MJHMC
mjhmc/misc/mixing.py
Python
gpl-2.0
4,915
[ "Gaussian" ]
e2e80831cebd7e468b5d1a2d89fb12c4d6e90825fb918682cf93363311fd22b6
#! /usr/bin/env python3 from vasppy import procar from vasppy.outcar import reciprocal_lattice_from_outcar import argparse def minimum_length( nmin ): class MinimumLength( argparse.Action ): def __call__( self, parser, args, values, option_string=None ): if not nmin <= len( values ): ...
bjmorgan/vasppy
vasppy/scripts/effective_mass.py
Python
mit
2,107
[ "VASP" ]
a2d1642484be2d92a7b98698a2cddcaac376e622ef1cabe14e905a54d405c95b
""" test views """ import datetime import json import re import pytz import ddt import unittest from mock import patch, MagicMock from nose.plugins.attrib import attr from capa.tests.response_xml_factory import StringResponseXMLFactory from courseware.field_overrides import OverrideFieldData # pylint: disable=import-...
shubhdev/openedx
lms/djangoapps/ccx/tests/test_views.py
Python
agpl-3.0
32,224
[ "VisIt" ]
2cd7083c518978d463912224dc01bd7663fcc7f74a7e097252e2b49639055647
#!/usr/bin/python # -*- coding: utf-8 -*- """ Ansible module to configure .deb packages. (c) 2014, Brian Coca <briancoca+ansible@gmail.com> This file is part of Ansible Ansible 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 Softwa...
ag-wood/ansible-modules-extras
system/debconf.py
Python
gpl-3.0
5,267
[ "Brian" ]
e9f43d90f5ad3626969d05f2d3a0ec6a986c3d3630bc873a51813a7784c27c68
# ========================================================================== # # Copyright NumFOCUS # # 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/...
thewtex/ITK
Modules/Filtering/GPUImageFilterBase/wrapping/test/itkGPUNeighborhoodOperatorImageFilterTest.py
Python
apache-2.0
3,108
[ "Gaussian" ]
e33dd4cb36fd98174285df041c82a8929e7ff91615f3b7b85108df60670881cd
""" The module contains classes and functions to generate different types of simulated movements. Author: Sivakumar Balasubramanian Date: March 13, 2014 """ import numpy as np def data_span(data): """ Returns the ampltide span of the given list or array. Parameters ---------- data : np.arr...
siva82kb/SPARC
scripts/movements.py
Python
isc
8,753
[ "Gaussian" ]
fdb430e8303789e374351a94dae9a5c4e8eb6bafdee1824ff8dedbe7df9b2391
""" =========================== PPV Grouping and Clustering =========================== Functions and routines to perform clustering analysis on the BGPS HCO+/N2H+ molecular line survey. """ from __future__ import division import numpy as np import pandas as pd import cPickle as pickle from collections import deque ...
autocorr/besl
besl/ppv_group.py
Python
gpl-3.0
31,445
[ "Gaussian" ]
d60204082456c97c20e2b108a8f6aea7b6f241c45350c830103b91c31fecbee5
def writeClassical(mdpclean,outdir,mdpf,nondimer,rcoulomb,ew_rtol,pme): """ Gromacs MDP file for the classical replica. The classical replica has its own settings that differ from those of the other delocalized replicas. A Dimer simulation with a classical replica will thus have two .mdp files, one...
marckn/dimerizer
dimerizer/mdp/mdp_writer.py
Python
gpl-3.0
3,535
[ "Gromacs" ]
77614ac618de99363174463f6d9f2dc41c9f0714811de29c4a4d6c6fb7943043
# -*- coding: utf-8 -*- u""" Created on 2015-7-23 @author: cheng.li """ import unittest import math import copy import tempfile import pickle import os from PyFin.Math.Distributions import InverseCumulativeNormal from PyFin.Math.Distributions import NormalDistribution from PyFin.Math.Distributions import CumulativeNo...
wegamekinglc/Finance-Python
PyFin/tests/Math/Distributions/testDistribution.py
Python
mit
5,716
[ "Gaussian" ]
f63095c357e463e55a0ea5de8e8a938caec1bc8cb7c9897be3bef66a3ffc81ae
import numpy as np from Methods import * class NaiveBayes(Predictor): def __init__(self): self.class_probabilities = {} self.probs = {} @staticmethod def moment_1(instances, i): summation = 0 instance_count = 0 for instance in instances: instance_count ...
thewickedaxe/Artificial-Intelligence---600.435
HW-4/NaiveBayes.py
Python
gpl-3.0
2,886
[ "Gaussian" ]
d074673560543b6bd1d8af710b6c2f35155a458ebf629b3c29a665f3715ef96a
# -*- Mode: python; tab-width: 4; indent-tabs-mode:nil; coding:utf-8 -*- # vim: tabstop=4 expandtab shiftwidth=4 softtabstop=4 # # MDAnalysis --- https://www.mdanalysis.org # Copyright (c) 2006-2017 The MDAnalysis Development Team and contributors # (see the file AUTHORS for the full list of names) # # Released under t...
MDAnalysis/mdanalysis
package/MDAnalysis/analysis/diffusionmap.py
Python
gpl-2.0
15,865
[ "MDAnalysis" ]
1a00701eacad60588cfaa7c3d856247d20f73d4e4c44b76e568410a0120db88e
############################################################################## # # Copyright (C) 2018 Compassion CH (http://www.compassion.ch) # @author: Emanuel Cino <ecino@compassion.ch> # # The licence is in the file __manifest__.py # #########################################################################...
CompassionCH/compassion-switzerland
website_event_compassion/forms/group_visit_payment.py
Python
agpl-3.0
3,372
[ "VisIt" ]
b1c1c74525a628a052a0910419427c0a85becc69ebcdef8909322edb76bf9121
""" Test helper functions and base classes. """ import functools import inspect import json import operator import os import pprint import unittest import urlparse from contextlib import contextmanager from datetime import datetime from unittest import TestCase import requests from bok_choy.javascript import js_defin...
fintech-circle/edx-platform
common/test/acceptance/tests/helpers.py
Python
agpl-3.0
34,563
[ "VisIt" ]
0fcf8ec22a354bc85e972d0ceabb65875ebd14f862fceef5caed273df86a3da0
# # Copyright (C) 2002 greg Landrum and Rational Discovery LLC # """ generates license files for our primitive license handler """ from rdkit.utils import Licensing import sha,base64,time,StringIO import sys _salt = Licensing._salt def DataFromTextDate(dText,mods=None): """ expected format: day-month-year """ ...
rdkit/rdkit-orig
rdkit/utils/GenLicense.py
Python
bsd-3-clause
1,289
[ "RDKit" ]
bf53f06c3e85c758230bdd9a8c41cf1a3a956d62a9326bd9ff1f56668cc6f1ac
""" Example smearing script This script: * Reads in mc spectra from hdf5 * Smears spectra, default is to use weighted Gaussian method, but can also use specify random Gaussian method via command line * Smeared spectrum is saved to the same directory with ``_smeared`` added to the file name Examples: T...
EdLeming/echidna
echidna/scripts/dump_smeared.py
Python
mit
1,992
[ "Gaussian" ]
0a3706c48cf6119ffdf903f4e41370fe4fe6d4e0151a94477d165eaa2b1370a7
import os from django.test import TestCase from django.test.client import Client from hq.models import ExtUser, Domain from buildmanager.models import Project, ProjectBuild, BuildDownload from buildmanager.tests.util import setup_build_objects from datetime import datetime class ViewsTestCase(TestCase): de...
commtrack/commtrack-old-to-del
apps/buildmanager/tests/views.py
Python
bsd-3-clause
3,463
[ "Brian" ]
ae0038c99b684da58286bcda479565646f9867d2ce9c3634d6a9d6b17dd364f8
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. from __future__ import division, unicode_literals """ This module defines the FeffInputSet abstract base class and a concrete implementation for the Materials Project. The basic concept behind an input set is...
xhqu1981/pymatgen
pymatgen/io/feff/sets.py
Python
mit
16,295
[ "FEFF", "pymatgen" ]
60444c8f0510e8d52219c60a9e37e75a6ef8fa6ac3ec6f4dc99f275334ccc593
#!/usr/bin/python #### # 02/2006 Will Holcomb <wholcomb@gmail.com> # # This library 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 v...
Miners/MinusAPI
nautilus-minus/minus_utils/multipart.py
Python
apache-2.0
5,044
[ "Brian" ]
c4ac4c7cf13b7049afabc1610edea491b6ee344f0be5e2d272341443ecd25f28
"""SOM utils""" # Adapted from: # Vahid Moosavi 2015 05 12 09:04 pm # sevamoo@gmail.com # Chair For Computer Aided Architectural Design, ETH Zurich # Future Cities Lab # www.vahidmoosavi.com import numpy as np from matplotlib import pyplot as plt import matplotlib.gridspec as gridspec import numexpr as ne from time i...
thorwhalen/ut
ml/decomp/sompy.py
Python
mit
45,652
[ "Gaussian" ]
963a2ba132738ca49a05ba5a0c0d5995ec609f0a83bbd60d60f00f4ec47496cc
# # Copyright (c) 2009-2015, Jack Poulson # All rights reserved. # # This file is part of Elemental and is under the BSD 2-Clause License, # which can be found in the LICENSE file in the root directory, or at # http://opensource.org/licenses/BSD-2-Clause # import El m = 1000 n = 2000 testMehrotra = True testIPF...
birm/Elemental
examples/interface/LPDirectDense.py
Python
bsd-3-clause
3,253
[ "Gaussian" ]
0b8e6ce58f5fb01e6a034bcae926f03d335cd984b2b04ec8674e8bd388bb1279
# Copyright 2015 Adriana Supady # # This file is part of fafoom. # # Fafoom 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 3 of the License, or # (at your option) any later...
FHIBioGroup/fafoom-dev
fafoom/utilities.py
Python
gpl-3.0
14,972
[ "RDKit" ]
c4774ba30ae30db6a93c2afa7863ebfffd85b2706a855965f8e85a64b3477578
from .mle import saccade_model_mle from .utils import * def saccade_model_em(pointlist): ''' Estimates the reaction time and duration of the saccade by fitting a saccade model to the data. The model consists of three phases: 1) source phase, gaze is fixated onto a point 2) saccade phase, g...
infant-cognition-tampere/saccademodel-py
saccademodel/em.py
Python
mit
4,165
[ "VisIt" ]
547036834d52f558369daddd45e538aaef936e6d0fcb39c0716a791bb2559bc5
# -*- Mode: python; tab-width: 4; indent-tabs-mode:nil; coding: utf-8 -*- # vim: tabstop=4 expandtab shiftwidth=4 softtabstop=4 # # MDAnalysis --- http://www.mdanalysis.org # Copyright (c) 2006-2016 The MDAnalysis Development Team and contributors # (see the file AUTHORS for the full list of names) # # Released under t...
kain88-de/mdanalysis
package/MDAnalysis/topology/tpr/utils.py
Python
gpl-2.0
34,782
[ "Gromacs", "MDAnalysis" ]
255350b1035b6f6474f4faf014b7653d088bd979f85ca44dc322a7af9f03a784
'''OpenAnything: a kind and thoughtful library for HTTP web services This program is part of 'Dive Into Python', a free Python book for experienced programmers. Visit http://diveintopython.org/ for the latest version. ''' __author__ = 'Mark Pilgrim (mark@diveintopython.org)' __version__ = '$Revision: 1.6 $'[11:-2] _...
mdraeger/gmapcatcher
gmapcatcher/openanything.py
Python
gpl-2.0
6,305
[ "VisIt" ]
dd55efce23f2df5c1918ee51af50b2af7b2f540f9060fe06149f30187af586b8
# -*- coding: utf-8 -*- ############################################################################# # # # FLEQ (Free LibreSoft Educational Quizbowl) # # A synchronous on-line competition software to improve and...
cristilav/FLEQ
quizbowl/views_tournaments.py
Python
agpl-3.0
13,518
[ "VisIt" ]
7024a6ea7e20af41a622bbd3173b2ed4588da46397db9859f7cc97f77ccda2c6
# Copyright (c) 2012 OpenStack Foundation # 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 ...
LoHChina/nova
nova/tests/unit/compute/test_resource_tracker.py
Python
apache-2.0
58,703
[ "exciting" ]
6772bd03b3a08ea166f2d7dc8581114c81fb6fccc41ff8ef970f7a31bd3c13ec
import click from parsec.cli import pass_context, json_loads from parsec.decorators import custom_exception, json_output @click.command('get_jobs') @click.option( "--state", help="Job states to filter on." ) @click.option( "--history_id", help="Encoded history ID to filter on.", type=str ) @click....
galaxy-iuc/parsec
parsec/commands/jobs/get_jobs.py
Python
apache-2.0
2,961
[ "Galaxy" ]
eac8205a389d353144edf2b717c38260801e11b737d3c5f0769e62dc2f813c98
# File: AthenaCommon/share/SystemOfUnits.py # Author: Wim Lavrijsen (LBNL, WLavrijsen@lbl.gov) # Created: 01/21/04 # Last: 01/21/04 # This script is a direct adaptation of CLHEP/Units/SystemOfUnits.h # and the following is the originial CLHEP comment: # # ----- # HEP coherent system of Units # # This file h...
vvolkl/DD4hep
DDCore/python/SystemOfUnits.py
Python
gpl-3.0
6,279
[ "Brian" ]
3fe1a8110be65899a50c0ba4be68542abf7787cea1cd212f1ea7918cf7e5e037
# Copyright (C) 2010-2018 The ESPResSo project # # This file is part of ESPResSo. # # ESPResSo 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 ...
hmenke/espresso
testsuite/python/scafacos_dipoles_1d_2d.py
Python
gpl-3.0
5,774
[ "ESPResSo" ]
7d7ab21a46897177f1c5cf5f98b0800f77b7199baa426fe7feab0b6ad092bc23
import astropy.io.fits as fits import numpy as np def lumwtd(filename='colira.fits'): s = fits.getdata(filename) keep = (s['INTERF'] != 2)# & (s['GALNAME']=='ngc3034') W10 = np.nansum(s['CO10'][keep]) W21 = np.nansum(s['CO21'][keep]) W32 = np.nansum(s['CO32'][keep]) W10_err = (np.nansum((s['CO1...
low-sky/colira
bayes/lumwtd.py
Python
gpl-2.0
1,761
[ "Galaxy" ]
67861f3eceb2356c459f22fa3712c12ff4de63922d9933a8de84d5f243a9b9fb
# Copyright 2013 by Kai Blin. # 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. import unittest from os import path from Bio import GenBank from Bio import SeqIO class GenBankTests(unittest.TestCase...
updownlife/multipleK
dependencies/biopython-1.65/Tests/test_GenBank_unittest.py
Python
gpl-2.0
1,343
[ "Biopython" ]
619a8876a77314328b4321787dca25eafe5caf6f60680b6c0d53b9168c927056
from datetime import datetime import json import logging from . import configuration from . import dispersiongrid as dg from . import dispersion_file_utils as dfu from . import dispersionimages from . import smokedispersionkml from . import fires def main(options): if options.verbose: logging.basicConfig...
pnwairfire/blueskykml
blueskykml/makedispersionkml.py
Python
gpl-3.0
3,293
[ "NetCDF" ]
bfa7afa27966dfb4e6b5b22223c906b0c91702a265c92f8bd308481b88fac35b
from buildbot.plugins import steps from buildbot.steps.shell import ShellCommand from buildbot.locks import SlaveLock from buildbot.process.properties import Interpolate class Steps: def __init__(self,Environ): # Max number of running builds build_lock = SlaveLock('build', maxCount = 2, m...
QEF/q-e_schrodinger
test-suite/buildbot/Cineca_farm/slave.py
Python
gpl-2.0
17,087
[ "EPW", "Wannier90" ]
744e443491e1782f40bf1bd86a0da6be1b319a413744b723a11b98a984ca4f0d
# Copyright (C) 2004-2008 Paul Cochrane # # 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 # of the License, or (at your option) any later version. # # This program is distribut...
paultcochrane/pyvisi
examples/simpleLinePlot.py
Python
gpl-2.0
2,124
[ "VTK" ]
cb6a8d176985723bab26ab1164be3c0ca193d4e8a92ae0955d5649c449225731
from collections import OrderedDict from chempy import Reaction from chempy.kinetics.rates import MassAction, RadiolyticBase from chempy.units import to_unitless, default_units as u def jl_dict(od): return "Dict([%s])" % ", ".join(["(:%s, %.4g)" % (k, v) for k, v in od.items()]) def _r(r, p, substmap, parmap, *...
bjodah/aqchem
chempy/util/_julia.py
Python
bsd-2-clause
5,909
[ "ChemPy" ]
0af518908e2dfc1e012401cecc10bdf6e57c6ae12be3e834d5bd6eeeddba428d
######################################################################## # # (C) 2013, James Cammarata <jcammarata@ansible.com> # # This file is part of Ansible # # Ansible 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 ...
ashemedai/ansible
lib/ansible/cli/galaxy.py
Python
gpl-3.0
31,861
[ "Galaxy" ]
15aae5c88c28d2e75ffeae8ace88ec4fe225498e9561486f718540f118cb11b2
# Copyright: (c) 2013, James Cammarata <jcammarata@ansible.com> # Copyright: (c) 2018, Ansible Project # GNU General Public License v3.0+ (see COPYING or https://www.gnu.org/licenses/gpl-3.0.txt) from __future__ import (absolute_import, division, print_function) __metaclass__ = type import os.path import re import sh...
alxgu/ansible
lib/ansible/cli/galaxy.py
Python
gpl-3.0
34,060
[ "Galaxy" ]
159d18e7132b41a9dc30fd4ed588b3e1f25c54e5f52edf58312f725a5ae50d24
# Copyright 2014 Roberto Brian Sarrionandia # # 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 applicable law or agreed t...
sarrionandia/tournatrack
models.py
Python
apache-2.0
12,570
[ "Brian" ]
0ab2cf0f25cb4e09a3decab0918b2d96a3c1535d308e8a7897aaa22f14f89fa0
#!/usr/bin/env python import askap.analysis.evaluation import numpy as np import matplotlib matplotlib.use('Agg') import pylab as plt import math import scipy.special from askap.analysis.evaluation.readData import * import askap.analysis.evaluation.modelcomponents as models from askap.analysis.evaluation.sourceSelect...
ATNF/askapsdp
Code/Components/Analysis/evaluation/current/scripts/imageEval.py
Python
gpl-2.0
12,197
[ "Gaussian" ]
7c1892579a08d810bf80e9cef461cc6b158f929c5aedd302da885ab6cb44ca55
"""Test Payment for Family Camp Bookings. Usage: test_pay_for_camp.py <email> <adults> <children> <infants> Options: -d,--debug Turn on debug output. -h,--help Show this screen. --version Show version. """ from splinter import Browser from time import sleep from docopt import docopt URL = "...
hippysurfer/family-camp
family_camp/test/test_pay_for_camp.py
Python
mit
1,811
[ "VisIt" ]
959e6ff67d5999c2d039ed6f2788f9b26624e78d984af1e04f558628706ed35d
import os, sys, shutil from pymatgen.io.vasp import Poscar, Kpoints, Potcar, VaspInput from pymatgen import Structure from pymatgen.apps.borg.hive import SimpleVaspToComputedEntryDrone from pymatgen.apps.borg.queen import BorgQueen from ctypes import * from mpi4py import MPI from timeit import default_timer as timer im...
skasamatsu/py_mc
py_mc/applications/latgas_abinitio_interface/run_vasp_mpi.py
Python
gpl-3.0
8,265
[ "VASP", "pymatgen" ]
8a7cba9c6880f22db1fb612260b78f6e085d19ce30b4bfab005881dfc08d4b00
# # Gramps - a GTK+/GNOME based genealogy program # # Copyright (C) 2007 Zsolt Foldvari # Copyright (C) 2008 Brian G. Matherly # Copyright (C) 2013 Vassilii Khachaturov # # 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 F...
beernarrd/gramps
gramps/plugins/docgen/cairodoc.py
Python
gpl-2.0
11,747
[ "Brian" ]
a7010fb1020215914a728457b7c03d8d98f3ec082cb0119eec6d1cdba2527155
#!/usr/bin/python #Icefilms.info v1.1.0 - Eldorado #All code Copyleft (GNU GPL v2) Eldorado and icefilms-xbmc team ############### Imports ############################ #standard module imports import sys,os import time,re import urllib,urllib2,base64 import random import copy import threading import string import tr...
azumimuo/family-xbmc-addon
plugin.video.icefilms/default.py
Python
gpl-2.0
145,284
[ "VisIt" ]
90651877ccec4b49ddf18b2ed24d48397dff05e6bf53632ae2a7e718ecda5a41
from django.test import TestCase from splinter import Browser class TestBaseViews(TestCase): def setUp(self): self.browser = Browser('chrome') def tearDown(self): self.browser.quit() def test_home(self): self.browser.visit('http://localhost:8000') test_string = 'Hello, w...
tosp/ProjectStud
base/test_views.py
Python
mit
773
[ "VisIt" ]
af0ac93b9e58006becd1e9ebe52aeafa70a3fe339ac5ef4975d1d82eb347cf39
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. import unittest import os from pymatgen.core.composition import Composition from pymatgen.core.structure import Structure from pymatgen.core.periodic_table import Specie from pymatgen.analysis.bond_valence im...
tschaume/pymatgen
pymatgen/analysis/tests/test_bond_valence.py
Python
mit
2,988
[ "pymatgen" ]
abb1fbe52f48451ec7b2ed25d8f395ab6d141d75c69b1d6cd2262948ae2e214d
import sys sys.path.insert(1,"../../../") import h2o from tests import pyunit_utils from h2o.estimators.gbm import H2OGradientBoostingEstimator def offset_gaussian(): # Connect to a pre-existing cluster insurance = h2o.import_file(pyunit_utils.locate("smalldata/glm_test/insurance.csv")) insurance["offset"] = ...
madmax983/h2o-3
h2o-py/tests/testdir_algos/gbm/pyunit_offset_gaussian_gbm.py
Python
apache-2.0
1,986
[ "Gaussian" ]
52cff547ae27fd4069344dee2d560e5beeb73ca9d08d66d6c3e8de76bb347ad3
# Copyright (c) 2012, GPy authors (see AUTHORS.txt). # Licensed under the BSD 3-clause license (see LICENSE.txt) import sys import numpy as np from ...core.parameterization.parameterized import Parameterized from kernel_slice_operations import KernCallsViaSlicerMeta from ...util.caching import Cache_this from GPy.core...
strongh/GPy
GPy/kern/_src/kern.py
Python
bsd-3-clause
11,880
[ "VisIt" ]
0b311f5a7532795c41378d4563913bb06f5a95ca7abeed08a789c8a72b785b35
__author__ = "mfreer" __date__ = "2011-09-15 17:09" __version__ = "1.6" __all__ = ["FileCore", "get_file_list"] import glob import logging class FileCore(object): """ Abstract class which holds basic file access methods and attributes. Designed to be subclassed by NetCDF, NASA Ames and basic text file ...
eufarn7sp/egads-eufar
egads/input/input_core.py
Python
bsd-3-clause
3,537
[ "NetCDF" ]
d12c47d7219bcc5dc0bf122b64b8b7ff5ff5183e2cf66cea3c950021e43260fd
'''This file contains code for the unit:Number Theory. ''' import numpy as np import matplotlib.pyplot as plt from scipy.special import ndtri import pylab '''Method that returns returns value of the gaussian given an input array and mean and standard deviation''' def Normal(x, mu,sigma): return np.exp(- (x-mu)**2/...
cloudmesh/book
examples/physics/number-theory/higgs_classIII.py
Python
apache-2.0
19,448
[ "Gaussian" ]
760f92d21df1dda7f7691926be10d7f979e7712ae0ed9cce89f1ff31d95f1828
#!/usr/bin/python ########################################################################## RAD4SNPs:############################################################################## # A set of Python scripts to select and validate independent SNPs markers from a list of read files # #################################...
glassalle/Rad4Snps
RAD4SNPs_Main.py
Python
gpl-3.0
12,997
[ "BWA" ]
0fd724303503e8f90d650d5a2f4ecc3b37ddba1d6cbfd52562b19041b1c5a5a4
# -*- coding: utf-8 -*- # # Copyright (c) 2019, 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. """Test single point logfiles in cclib.""" import datetime import os import unittest import numpy import p...
langner/cclib
test/data/testSP.py
Python
bsd-3-clause
26,270
[ "ADF", "Dalton", "GAMESS", "Gaussian", "Jaguar", "MOLCAS", "MOPAC", "Molpro", "NWChem", "ORCA", "Psi4", "TURBOMOLE", "cclib" ]
cf9d3b49a84091552e51784824bb312ad756e16cd636f6201d97e597aab2c3b4
# uncompyle6 version 2.9.10 # Python bytecode 2.7 (62211) # Decompiled from: Python 3.6.0b2 (default, Oct 11 2016, 05:27:10) # [GCC 6.2.0 20161005] # Embedded file name: ast.py """ ast ~~~ The `ast` module helps Python applications to process trees of the Python abstract syntax grammar. The abstract ...
DarthMaulware/EquationGroupLeaks
Leak #5 - Lost In Translation/windows/Resources/Python/Core/Lib/ast.py
Python
unlicense
11,832
[ "VisIt" ]
3df8e80240260e71c78fe66876ac026f8704ff9b0319c99bf57b8e9c6fa76b6a
# -*- coding: utf-8 -*- """Suite of methods common operation on res.partner.""" import base64 import logging import pprint import random from openerp import api, models, fields _logger = logging.getLogger(__name__) class ResPartnerGetStudios(models.Model): """Overcharge the definition of a partner with methods ...
cgstudiomap/cgstudiomap
main/local_modules/frontend_studio/models/res_partner.py
Python
agpl-3.0
10,035
[ "VisIt" ]
2aaacfeb6a8e54de183b88b3acfddd3700533deea6660e50dd433ee1784089ad
# # Gramps - a GTK+/GNOME based genealogy program # # Copyright (C) 2000-2006 Donald N. Allingham # Copyright (C) 2008 Brian G. Matherly # Copyright (C) 2010 Jakim Friant # # This program is free software; you can redistribute it and/or modify # it under the terms of the GNU General Public License as publi...
Forage/Gramps
gramps/plugins/textreport/summary.py
Python
gpl-2.0
11,013
[ "Brian" ]
e154a9faed0b8e4fe59de95bcd463fe12f020330f4e1ca0309f6493f3f9cb58f
""" Utilties for loading static pipe_analysis PNGs into holoviews DynamicMaps See 'qa-image-browser.ipynb' demo notebook for examples of usage. """ from __future__ import print_function, division import re, os, glob from itertools import product from functools import partial import numpy as np import holoviews as h...
timothydmorton/qa_explorer
explorer/static.py
Python
mit
5,381
[ "VisIt" ]
c6ded926eea19819b71e462c01f485d2faeee21646c63a0981cb623075af023f
#!/usr/bin/python """ Last edited by: Siddhanathan Shanmugam <siddhanathan@gmail.com> Copyright (C) 2014 Siddhanathan Shanmugam LICENSE: LGPL v2.1, or (at your opinion) any later version. ------------------------------------------------------------------------------- SimpleOSC: Copyright (c) Daniel Holth & Clinton ...
siddhanathan/raga
OSC.py
Python
gpl-3.0
84,732
[ "VisIt" ]
5928ab965a996ccfc473e336a9c497f7b3496087eb1998afc25f1408050d4fb8
# proxy module from __future__ import absolute_import from mayavi.plugins.envisage_engine import *
enthought/etsproxy
enthought/mayavi/plugins/envisage_engine.py
Python
bsd-3-clause
99
[ "Mayavi" ]
19362411c761ec23be6bd67844ec12dfcaf968b0ae1d8928e32058dfa54f3812
#!/usr/bin/env python # Copyright (c) 2012 The Chromium Authors. All rights reserved. # Use of this source code is governed by a BSD-style license that can be # found in the LICENSE file. '''Base types for nodes in a GRIT resource tree. ''' import ast import os import types from xml.sax import saxutils from grit imp...
hujiajie/chromium-crosswalk
tools/grit/grit/node/base.py
Python
bsd-3-clause
22,026
[ "xTB" ]
7d551037f96b7515e474602a9d119859aa8c88a3ad426e91acdd5c9e75e36216