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""" The B{0install list-feeds} command-line interface. """ # Copyright (C) 2011, Thomas Leonard # See the README file for details, or visit http://0install.net. from __future__ import print_function from zeroinstall import _ from zeroinstall.cmd import UsageError from zeroinstall.injector import model, reader synta...
rammstein/0install
zeroinstall/cmd/list_feeds.py
Python
lgpl-2.1
653
[ "VisIt" ]
04b4ed3b814a47fbdd45786515a7def8d3f4edd56e215ad5fc061bd7fbc142b2
#! /usr/bin/env python """ Usage: calc-blast-cover.py reference.fa query.x.reference.blastn minmatch query.fa calc-blast-cover calculates the fraction of bases in 'reference.fa' that are covered by BLAST matches from 'query.fa', for sequence in 'query.fa' that are longer than 'minmatch'. """ import sys import bla...
jrherr/bioinformatics_scripts
python_scripts/calc_blast_cover.py
Python
mit
2,343
[ "BLAST" ]
30a8f802487b1a99da0eebe9d6c17e4b8962ae6f980d83a93bc15c711976e6fc
import warnings from datetime import datetime from numbers import Number as NumberBase from itertools import chain from functools import partial from . import controlled_vocabulary from lxml import etree def make_counter(start=1): ''' Create a functor whose only internal piece of data is a mutable contain...
mobiusklein/mzidentml_writer
mzident_writer/components.py
Python
apache-2.0
32,651
[ "Dalton" ]
eeb62b8e83cb58a49e8db97bea9a76ff6c9d026c3bf83e63e4334767496d26f0
# -*- coding: utf-8 -*- """ The :mod:`sklearn.metrics.pairwise` submodule implements utilities to evaluate pairwise distances or affinity of sets of samples. This module contains both distance metrics and kernels. A brief summary is given on the two here. Distance metrics are a function d(a, b) such that d(a, b) < d(...
johnowhitaker/bobibabber
sklearn/metrics/pairwise.py
Python
mit
37,117
[ "Gaussian" ]
dee422c9b516b4733ea08b1dabc447936bdd980c7f4a404e6b951cc03d63cc27
""" This is the courseware context_processor module. This is meant to simplify the process of sending user preferences (espec. time_zone and pref-lang) to the templates without having to append every view file. """ import string from django.utils.translation import get_language from pytz import timezone from pytz.ex...
eduNEXT/edx-platform
lms/djangoapps/courseware/context_processor.py
Python
agpl-3.0
3,856
[ "VisIt" ]
4b67a9bcfbcba485c14b774374739cbad3e89a839600dbb4bdb8e872a8d4f791
""" Pyinvoke tasks.py file for automating releases and admin stuff. Author: Shyue Ping Ong """ import datetime import glob import json import os import re import subprocess import webbrowser import requests from invoke import task from monty.os import cd from pymatgen.core import __version__ as CURRENT_VER @task d...
gmatteo/pymatgen
tasks.py
Python
mit
9,817
[ "pymatgen" ]
49ad6a3caa085f9da5722886c232e2eb754ad5bee2f0382a36959e199f6711c3
# -*- 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 th...
kain88-de/mdanalysis
package/MDAnalysis/coordinates/core.py
Python
gpl-2.0
4,610
[ "Gromacs", "MDAnalysis" ]
48842b2af38246a8a02e71d3d1e8e785fa11eb1aa5bff062a51650b9b077a3e6
""" This module gathers tree-based methods, including decision, regression and randomized trees. Single and multi-output problems are both handled. """ # Authors: Gilles Louppe <g.louppe@gmail.com> # Peter Prettenhofer <peter.prettenhofer@gmail.com> # Brian Holt <bdholt1@gmail.com> # Noel Da...
Eric89GXL/scikit-learn
sklearn/tree/tree.py
Python
bsd-3-clause
29,327
[ "Brian" ]
b2cad71d982cbd929382a45eddc4dca3ba435ae2fe53ca039cf9f6d406a741d3
# -*- coding: utf-8 -*- """ Created on Mon Dec 16 11:02:59 2013 Author: Josef Perktold """ import numpy as np from scipy import stats import matplotlib.pyplot as plt import statsmodels.nonparametric.api as npar from statsmodels.sandbox.nonparametric import kernels from statsmodels.distributions.mixture_rvs import mi...
bashtage/statsmodels
statsmodels/examples/ex_kde_confint.py
Python
bsd-3-clause
1,941
[ "Gaussian" ]
77de82f590cbb90c07de86de3f088d5149abb9d6d5cc49f368520f96abf82a36
# electronics.py --- # # Filename: electronics.py # Description: # Author: Subhasis Ray # Maintainer: # Created: Wed Feb 22 00:53:38 2012 (+0530) # Version: # Last-Updated: Tue Jul 10 10:28:40 2012 (+0530) # By: subha # Update #: 221 # URL: # Keywords: # Compatibility: # # # Commentary: # # ...
BhallaLab/moose
moose-examples/squid/electronics.py
Python
gpl-3.0
3,885
[ "MOOSE" ]
51af2b4cec81cf71251f59205b0c1ef005bf5e6ae6f3af8c44053f5de05026a3
# -*- coding: utf-8 -*- """ End-to-end tests for Student's Profile Page. """ from contextlib import contextmanager from datetime import datetime from bok_choy.web_app_test import WebAppTest from nose.plugins.attrib import attr from ...pages.common.logout import LogoutPage from ...pages.lms.account_settings import Acc...
ahmadiga/min_edx
common/test/acceptance/tests/lms/test_learner_profile.py
Python
agpl-3.0
34,284
[ "VisIt" ]
54df58916cae3e33fc93e4408383771300729b7d7863bd4429dfda0e852ed743
# Copyright (C) 2010-2019 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 v...
psci2195/espresso-ffans
src/python/espressomd/io/mpiio.py
Python
gpl-3.0
3,867
[ "ESPResSo" ]
33f6711c19f36a3ecf50fe73e6380208b1bdc5e05f0242db3a4a24aeeb1c3612
""" A number of function that enhance IDLE on MacOSX when it used as a normal GUI application (as opposed to an X11 application). """ import sys import Tkinter from os import path _appbundle = None def runningAsOSXApp(): """ Returns True if Python is running from within an app on OSX. If so, assume that ...
bussiere/pypyjs
website/demo/home/rfk/repos/pypy/lib-python/2.7/idlelib/macosxSupport.py
Python
mit
6,028
[ "VisIt" ]
d7f97d85bfe48bad1fa4baa9e6c817922f09288efb5b229bd3da7e86cb482640
#Ignore this sed code echo "126,55,55,71INTER,Cameron" | sed 's/\([0-9].*,[0-9].*,[0-9].*\)/\1/' #\1 is the reference to the first stored pattern. import csv import os import pickle d={}#declare a dictionary dl=[]#A list to store the dictionary in. fn = open('neocortex_region.txt') neocortex = [line.strip() for line...
russelljjarvis/neurogateway
atlas_reader3.py
Python
gpl-3.0
5,865
[ "NEURON" ]
77d50e34539fd0102d70a260e68fbaee666d5e057fbb3c8343ef8ad59871d7aa
# # Copyright (C) 2013-2018 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...
mkuron/espresso
testsuite/python/interactions_non-bonded.py
Python
gpl-3.0
27,497
[ "ESPResSo", "Gaussian" ]
d9709b4fad87e242fb638cf7444962d8d802f38b4f9f526651e70358ec52fce2
import sys, os, re, types, HTMLParser, urllib2 import parser, db, data, constants def _rune_cost(generator, filter_data, record, *args): cost = 0 for rune_type in xrange(0, 4): for i in xrange(0, getattr(record, 'rune_cost_%d' % (rune_type + 1))): cost |= 1 << (rune_type * 2 + i) retu...
utecht/simcraft_shaman
dbc_extract/dbc/generator.py
Python
gpl-3.0
171,229
[ "BLAST", "CRYSTAL" ]
0dfc23cf6cb9e09fd01c39cedd7a3158cd54cc6d4cb9a4beafebbae4f0b2eed9
# #@BEGIN LICENSE # # PSI4: an ab initio quantum chemistry software package # # 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 ver...
spring01/libPSI
lib/databases/BAKERJCC96.py
Python
gpl-2.0
16,029
[ "Psi4" ]
e2b0549613eff50c4878c1d2a317da7a84e451ad9a150188a4e36aa030be9f0c
# from django.db.models import get_model from edc_appointment.models import Appointment from edc_meta_data.models import CrfMetaDataMixin # from edc_base.audit_trail import AuditTrail from edc_base.model.models import BaseUuidModel from edc_constants.constants import ( UNSCHEDULED, SCHEDULED, COMPLETED_PROTOCOL_VI...
TshepangRas/tshilo-dikotla
td_infant/models/infant_visit.py
Python
gpl-2.0
5,263
[ "VisIt" ]
685c5c68abf0439f8a68b1f65687bd2c7be8bb172eeab88ae25cb96d600f2d80
""" Tests which scan for certain occurrences in the code, they may not find all of these occurrences but should catch almost all. """ from __future__ import division, absolute_import, print_function import sys import pytest if sys.version_info >= (3, 4): from pathlib import Path import ast import tokenize...
kubaszostak/gdal-dragndrop
osgeo/apps/Python27/Lib/site-packages/numpy/tests/test_warnings.py
Python
mit
2,594
[ "VisIt" ]
c9ee130469ceb8f019caee5b4b9243c5857984b82551041f292acc5b063fa612
from .layer import Layer from ..activation import Activation from ..potential import Potential import numpy as np class ParticleVectorNLocalConvolutionInput(object): def __init__(self, output_size, nr=3, nv=3, sr=1.0, sv=1.0): self.output_size = output_size self.nv = nv self.nr = nr ...
awlange/brainsparks
src/calrissian/layers/particle_vector_n_local_conv.py
Python
mit
8,208
[ "Gaussian" ]
47f3f4b6257f122a5a1b3ed7ab23432862be99e101f5c8df311929fd8424a86f
# Dual Annealing implementation. # Copyright (c) 2018 Sylvain Gubian <sylvain.gubian@pmi.com>, # Yang Xiang <yang.xiang@pmi.com> # Author: Sylvain Gubian, Yang Xiang, PMP S.A. """ A Dual Annealing global optimization algorithm """ import numpy as np from scipy.optimize import OptimizeResult from scipy.optimize import...
anntzer/scipy
scipy/optimize/_dual_annealing.py
Python
bsd-3-clause
29,863
[ "VisIt" ]
0bb2dc4eb8a4cf2ed5dd88b559029a183488299211ce58ff368aaee580997144
# -*- coding: utf-8 -*- """ __author__ = "Konstantin Klementiev", "Roman Chernikov" __date__ = "2017-02-01" Created with xrtQook """ import numpy as np import sys import os, sys; sys.path.append(os.path.join('..', '..')) # analysis:ignore import xrt.backends.raycing.sources as rsources import xrt.backends.raycing.sc...
kklmn/xrt
tests/raycing/test_laue_bent.py
Python
mit
8,473
[ "CRYSTAL" ]
e9e1322cf1d4bef8005d0f7740ef40653feb413d31674492e550525ac34e4e8b
from __future__ import with_statement from copy import deepcopy import os from galaxy.util import parse_xml def load_tool(path): """ Loads tool from file system and preprocesses tool macros. """ tree = raw_tool_xml_tree(path) root = tree.getroot() _import_macros(root, path) # Expand xm...
mikel-egana-aranguren/SADI-Galaxy-Docker
galaxy-dist/lib/galaxy/tools/loader.py
Python
gpl-3.0
6,724
[ "Galaxy" ]
c8baba74929cf680c56af62963491140ae67dbf1bd7a7ef58b12a03772ed7609
#!/usr/bin/python # -*- coding: utf-8 -*- import unittest import os import numpy as np from rmgpy import getPath from rmgpy.qm.main import QMCalculator from rmgpy.molecule import Molecule from rmgpy.qm.gaussian import GaussianMolPM3, GaussianMolPM6 gaussEnv = os.getenv('GAUSS_EXEDIR') or os.getenv('g09root') or os...
enochd/RMG-Py
rmgpy/qm/gaussianTest.py
Python
mit
5,807
[ "Gaussian" ]
157ba42bdf1d9ebbfde53920d9a79f009c93b0c349eb96963adebe4f4529506d
"""This module provides common utility functions. Copyright 2021--2022 Michael Hayes, UCECE """ import sympy as sym def factor_const(expr, var): """Extract constant factor from expression and return tuple of constant and the rest of the expression. For example `a * r(var)` returns `a, r(var)`. If h...
mph-/lcapy
lcapy/utils.py
Python
lgpl-2.1
8,995
[ "VisIt" ]
06389a092ae60a94b5a5fdbc7ccc4de20228e06a359bf18a8ff3966f2cab924f
# -*- coding: utf-8 -*- import os import wave import json import requests import pyaudio from settings import HTTP_PROXY, HTTPS_PROXY TTS_URL = "https://try-api.recaius.jp/tts/v1/" class RecaiusTTS(object): """Speech Synthesizer by RECAIUS-dev API""" speaker2info = { 'itaru': ('ja_JP', 'ja_JP-M0001-H0...
aidiary/python-recaius
recaius/tts.py
Python
mit
6,847
[ "MOE" ]
187cbd8e3eab5fcf95026cb6253797f424949b924341d2d378c8c05b6e620acf
# -*- coding: utf-8 -*- # Copyright (C) 2015-16 Red Hat, Inc. # This file is part of the Infinity Note Compiler. # # The Infinity Note Compiler 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 ...
gbenson/i8c
src/i8c/compiler/visitors.py
Python
lgpl-2.1
2,062
[ "VisIt" ]
9c51595cae0839056d166f1e25cdadc37bfb63eb382fab0a1f09e7120a8d41f2
# Copyright 2020 Google LLC # # 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 # # https://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, ...
google-research/sound-separation
models/train/data_meeting_io.py
Python
apache-2.0
23,738
[ "Gaussian" ]
d1b8a627651bb6c0f3d2b36e72c496cf3ef04518095b011e9c8dc27c30bc97e5
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. import collections import numbers import string from itertools import combinations_with_replacement, product import os import re from collections import defaultdict from monty.serialization import loadfn ...
blondegeek/pymatgen
pymatgen/core/composition.py
Python
mit
49,756
[ "pymatgen" ]
b04866790d9bbb7f21fdec978da0d5ae2bfe7c55287303952480da76472477ce
# (c) 2014, Brian Coca, Josh Drake, et al # # 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 Foundation, either version 3 of the License, or # (at your option) any later version. ...
majidaldo/ansible
v2/ansible/plugins/cache/memcached.py
Python
gpl-3.0
5,987
[ "Brian" ]
62fba83cc21ce9f4ab954235d638870da8edaf6befc05c6667410a9f127789ec
# -*- coding: utf-8 -*- # vi:si:et:sw=4:sts=4:ts=4 ## ## Copyright (C) 2014 Async Open Source <http://www.async.com.br> ## All rights reserved ## ## 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 Foundati...
tiagocardosos/stoq
stoqlib/test/tests_runner.py
Python
gpl-2.0
10,136
[ "VisIt" ]
6b4dc73d64cb4e3724029754a70cb19592769acbe3769aa910af69ec70f84e3e
# $HeadURL$ __RCSID__ = "$Id$" """This Backend sends the Log Messages to a Log Server It will only report to the server ERROR, EXCEPTION, FATAL and ALWAYS messages. """ import threading import Queue from DIRAC.Core.Utilities import Time, Network from DIRAC.FrameworkSystem.private.logging.backends.BaseBackend import Bas...
avedaee/DIRAC
FrameworkSystem/private/logging/backends/RemoteBackend.py
Python
gpl-3.0
2,903
[ "DIRAC" ]
5f1da7aa092689618507cf59b51908104204547ce352643dc4c6c8be93cf95da
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. """ This module defines the BorgQueen class, which manages drones to assimilate data using Python's multiprocessing. """ __author__ = "Shyue Ping Ong" __copyright__ = "Copyright 2012, The Materials Project" ...
dongsenfo/pymatgen
pymatgen/apps/borg/queen.py
Python
mit
4,940
[ "pymatgen" ]
817df79eaed5c31096b1f46c7185a024a0d48f85155effbad8289bb2bb556c5a
# coding: utf-8 from vale import ValeCodegen from vale import ValeParser from vale import construct_model from sympy import S from sympy.core.sympify import sympify import numpy as np # ... def run(filename): # ... from caid.cad_geometry import cube geometry = cube() from clapp.spl.mapping import M...
ratnania/vale
tests/test_laplace_3d.py
Python
mit
3,147
[ "ParaView", "VTK", "VisIt" ]
fb590ec6b0b554bbaf72f13dab717f303449f305d79436e595ecb6422d7f3b20
""" PySCeS - Python Simulator for Cellular Systems (http://pysces.sourceforge.net) Copyright (C) 2004-2015 B.G. Olivier, J.M. Rohwer, J.-H.S Hofmeyr all rights reserved, Brett G. Olivier (bgoli@users.sourceforge.net) Triple-J Group for Molecular Cell Physiology Stellenbosch University, South Africa. Permiss...
asttra/pysces
pysces/core2/PyscesCore2Modules.py
Python
bsd-3-clause
25,783
[ "PySCeS" ]
c1907ea193a2fef143c4b61fea93b6a57fbf03a70d11710766e3645b839fe9e2
#!/usr/bin/env python # Copyright JS Foundation and other contributors, http://js.foundation # # 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....
zherczeg/jerryscript
targets/mbedos5/tools/generate_pins.py
Python
apache-2.0
6,927
[ "VisIt" ]
e5a8f0598943629996173a35697582c4e9a24a3663aacef7535aa9940b66604f
# Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. import unittest import matplotlib as mpl from pymatgen.analysis.diffraction.neutron import NDCalculator from pymatgen.core.lattice import Lattice from pymatgen.core.structure import Structure from pymatgen.util.testing impor...
vorwerkc/pymatgen
pymatgen/analysis/diffraction/tests/test_neutron.py
Python
mit
3,130
[ "pymatgen" ]
919753020b480cf530635610dbbc113584f8a5694b5fb1f04bcf3bb1a5fbf29c
from ase import * from ase.lattice import bulk from ase.dft.kpoints import monkhorst_pack from gpaw import * from gpaw.mpi import serial_comm from gpaw.test import equal from gpaw.xc.rpa import RPACorrelation import numpy as np a0 = 5.43 cell = bulk('Si', 'fcc', a=a0).get_cell() Si = Atoms('Si2', cell=cell, pbc=True, ...
robwarm/gpaw-symm
gpaw/test/rpa_energy_Si.py
Python
gpl-3.0
948
[ "ASE", "GPAW" ]
b7577e89552b587adf42a8ac9cdc58e5335baca30a92150ba6bc158f3e87770d
# this script starts a new AIMS calculation. Ethylene, SA2-CASSCF(2/2). import numpy as np import pyspawn import pyspawn.general # terachemserver port port = 54322 # random number seed seed=87061 # Velocity Verlet classical propagator clas_prop = "vv" # adapative 2nd-order Runge-Kutta quantum propagator q...
blevine37/pySpawn17
examples/ethylene_fomocasci/start_c2h4.py
Python
mit
3,778
[ "Gaussian", "TeraChem" ]
58f781f192ddb8d99f87449bdb257d7cf0d718fb01c3a6f29cb240cdfae5f075
# class generated by DeVIDE::createDeVIDEModuleFromVTKObject from module_kits.vtk_kit.mixins import SimpleVTKClassModuleBase import vtk class vtkXYZMolReader(SimpleVTKClassModuleBase): def __init__(self, module_manager): SimpleVTKClassModuleBase.__init__( self, module_manager, vtk.v...
chrisidefix/devide
modules/vtk_basic/vtkXYZMolReader.py
Python
bsd-3-clause
476
[ "VTK" ]
d0662bc5a751109b90968060f25f15c49f37f0028aaaca42db1cc05f36516ab5
""" Unit page in Studio """ from bok_choy.page_object import PageObject from bok_choy.promise import EmptyPromise, Promise from . import BASE_URL from .container import ContainerPage class UnitPage(PageObject): """ Unit page in Studio """ NAME_SELECTOR = '#unit-display-name-input' def __init__...
carsongee/edx-platform
common/test/acceptance/pages/studio/unit.py
Python
agpl-3.0
5,826
[ "VisIt" ]
34e826354453e415a64983d3bf978a0f2f4171bae83761b2fd6c51c75c7062e6
__author__ = 'abel' import montemodes.functions.calculate as calc method_function = { 1: calc.get_energy_from_tinker, 2: calc.get_energy_from_gaussian } class gaussian: def __init__(self, methodology='pm3', internal=False, memory=None, ...
abelcarreras/MonteModes
montemodes/functions/methods.py
Python
mit
1,986
[ "Gaussian", "TINKER" ]
a86795783b4bc545ba5072d92ba597a4488fd7d9dc01d3c62c5c2c53eba079f2
from django.test import SimpleTestCase from unittest.mock import patch from corehq.apps.app_manager.const import ( AUTO_SELECT_USERCASE, WORKFLOW_CASE_LIST, WORKFLOW_MODULE, ) from corehq.apps.app_manager.models import ( AdvancedModule, AdvancedOpenCaseAction, Application, AutoSelectCase, ...
dimagi/commcare-hq
corehq/apps/app_manager/tests/test_case_list_form.py
Python
bsd-3-clause
25,183
[ "VisIt" ]
3c1c0ba460c998faafa5432a781942bf5abde86dfbc47bf6ceeceeee81654ade
#!/usr/bin/env python # --------------------------------------------------------------------------- # Licensing Information: You are free to use or extend these projects for # education or reserach purposes provided that (1) you retain this notice # and (2) you provide clear attribution to UC Berkeley, including a lin...
BARCproject/barc
workspace/src/labs/src/lab8/observer.py
Python
mit
10,153
[ "Gaussian" ]
9b4bcffc396031887296c5b8fba78752f499f721208418df26b8016f47486dff
#!python # ---------------------------------------- # scikit-ribo # ---------------------------------------- # pre-processing module # ---------------------------------------- # author: Han Fang # contact: hanfang.cshl@gmail.com # website: hanfang.github.io # date: 3/28/2017 # ---------------------------------------- ...
hanfang/scikit-ribo
build/scripts-3.4/scikit-ribo-build.py
Python
gpl-2.0
5,237
[ "pysam" ]
031db0d76b32b41812b12f9d0d5cbd6be269af1ddd7d5e9fb42a07969cf225cc
from __future__ import unicode_literals import json import logging import numbers import phonenumbers import pytz import regex import time import urllib2 import xlwt import re from collections import OrderedDict, defaultdict from datetime import timedelta from decimal import Decimal from django.conf import settings f...
ewheeler/rapidpro
temba/flows/models.py
Python
agpl-3.0
232,241
[ "VisIt" ]
520bdb148589d308407fceedaaffd50275dfb0328489693f874bb4adb57e434f
# -*- 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. """Test coupled cluster logfiles""" import os import unittest import numpy __filedir__ = os.path.realpath(os.path.dirn...
gaursagar/cclib
test/data/testCC.py
Python
bsd-3-clause
815
[ "cclib" ]
25d6ef43c35db808b60f2201c3ad445eb3bb56e7477e83c56d684d9f5f7cecab
# Orca # # Copyright 2005-2009 Sun Microsystems Inc. # # 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 version. # # This...
h4ck3rm1k3/orca-sonar
src/orca/scripts/apps/soffice/formatting.py
Python
lgpl-2.1
5,309
[ "ORCA" ]
1f1ee9e4d8b19a71f25360062c5ff8216eddc33ccc7cf6427a757d1531c01de7
# Eigenvalues of Orientation Tensor by Local Polynomial Approximation using Numba JIT Acceleration # # Calculates the eigenvalues of an orientation tensor derived from the coefficients of a local polynomial # approximation (3D 2nd order polynomial using gaussian weighted least squares) as proposed by Farneback. # # Th...
waynegm/OpendTect-Plugins
bin/python/wmpy/Experimental/LocalPolynomialApproximation/ex_lpa_eigenvals.py
Python
gpl-3.0
2,624
[ "Gaussian" ]
08e4547f163acb4366d1b13d0dd103955c4f65b80e22135159693cea62998d38
# -*- coding: utf-8 -*- # # Configuration file for the Sphinx documentation builder. # # This file does only contain a selection of the most common options. For a # full list see the documentation: # http://www.sphinx-doc.org/en/master/config # -- Path setup ------------------------------------------------------------...
dimonaks/siman
docs/source/conf.py
Python
gpl-2.0
5,558
[ "ASE", "pymatgen" ]
e54e0985c3860d5bb3bb3345aa5bd6461ee99dd985c49776591866f01c197590
#!/usr/bin/env python ''' script for filtering insertions vs. the human reference GRCh37/hg19 ''' ''' may be useful as a template for extension to other species ''' import pysam import sys import os def usage(): return 'usage: %s </path/to/TEBreak directory> <tabular output from resolve.py>' % sys.arg...
ValentinaPeona/tebreak
scripts/filter_hg19.py
Python
mit
3,719
[ "pysam" ]
c046554ecb2272b76f31e7b30f5be12115821b26e912e4ecc0d3aad67ec4012f
filedict = 'c10.dic' fileweights = 'fig7.weight.dat' try: import custom_params custom_params.filename='fig7' except: print 'You can\'t import the params file' from colors import palette from misc import Spherical from math import sqrt, sin, cos, pi def ConvertDirection(phi, theta, phir, thetar, transf): ...
JustasB/MitralSuite
Models/Migliore2014/mayasyn.py
Python
mit
12,745
[ "Mayavi", "VTK" ]
6514647a3f0ae50666e26da9a755da71cc8ef7b3e9b996bdd960f2b290a1a993
# pylint: disable=missing-docstring from lettuce import world, step from selenium.webdriver.common.keys import Keys from xmodule.modulestore.django import modulestore VIDEO_BUTTONS = { 'CC': '.hide-subtitles', 'volume': '.volume', 'play': '.video_control.play', 'pause': '.video_control.pause', 'ha...
olexiim/edx-platform
cms/djangoapps/contentstore/features/video.py
Python
agpl-3.0
8,674
[ "VisIt" ]
af4ddda2106e7a5dea7642fa67512ed2c9e535610b1d652260aa4303b58de0c7
## NIFTY (Numerical Information Field Theory) has been developed at the ## Max-Planck-Institute for Astrophysics. ## ## Copyright (C) 2014 Max-Planck-Society ## ## Author: Maksim Greiner, Marco Selig ## Project homepage: <http://www.mpa-garching.mpg.de/ift/nifty/> ## ## This program is free software: you can redistribu...
ultimanet/nifty
lm/nifty_power_conversion_lm.py
Python
gpl-3.0
5,320
[ "Gaussian" ]
745bcf6caf828e8f9af242e5bd48da62014d7dcf955f95cd48d77c6f6b3ee05e
from __future__ import print_function import logging import numpy import pywt import SimpleITK as sitk import six from six.moves import range logger = logging.getLogger(__name__) def getMask(mask, **kwargs): """ Function to get the correct mask. Includes enforcing a correct pixel data type (UInt32). Also su...
Radiomics/pyradiomics
radiomics/imageoperations.py
Python
bsd-3-clause
54,849
[ "Gaussian" ]
3cfa92549925878c7f2a0940f9dfdcc26b5095e2a6bfa81aaa00228904669b24
import re class Compiler(object): RE_INTERPOLATE = re.compile(r'(\\)?([#!]){(.*?)}') doctypes = { '5': '<!DOCTYPE html>' , 'xml': '<?xml version="1.0" encoding="utf-8" ?>' , 'default': '<!DOCTYPE html PUBLIC "-//W3C//DTD XHTML 1.0 Transitional//EN" "http://www.w3.org/TR/xhtml1/DTD/xhtml1-tr...
xlk521/cloudguantou
pyjade/compiler.py
Python
bsd-3-clause
10,790
[ "VisIt" ]
8206bf1b9f969d691ca4f0dfe8b66521f956949bb077f394160ae9c9383c5343
#!/bin/env python """ Script to call the DataRecoveryAgent functionality by hand. """ from __future__ import absolute_import from __future__ import division from __future__ import print_function from DIRAC import S_OK, gLogger from DIRAC.Core.Utilities.DIRACScript import DIRACScript as Script __RCSID__ = "$Id$" cla...
ic-hep/DIRAC
src/DIRAC/TransformationSystem/scripts/dirac_transformation_recover_data.py
Python
gpl-3.0
2,021
[ "DIRAC" ]
c53877cf1eed8b7f7fe7e1f7b09fba8c1014c45574ca904a7545174313f6c58b
"""hiPhive force constants calculator interface.""" # Copyright (C) 2018 Atsushi Togo # All rights reserved. # # This file is part of phonopy. # # Redistribution and use in source and binary forms, with or without # modification, are permitted provided that the following conditions # are met: # # * Redistributions of s...
atztogo/phonopy
phonopy/interface/hiphive_interface.py
Python
bsd-3-clause
7,020
[ "ASE", "phonopy" ]
d8ff69c8e3da13fbc6211acc6e5c9447f0362c65f3ae71a4d4c7efbb2530bff8
# class generated by DeVIDE::createDeVIDEModuleFromVTKObject from module_kits.vtk_kit.mixins import SimpleVTKClassModuleBase import vtk class vtkImageImport(SimpleVTKClassModuleBase): def __init__(self, module_manager): SimpleVTKClassModuleBase.__init__( self, module_manager, vtk.vt...
nagyistoce/devide
modules/vtk_basic/vtkImageImport.py
Python
bsd-3-clause
470
[ "VTK" ]
43627b7d0558cfa77e3c2ccebc86298052af3e8e896688a753905f9b46dd4e1e
__author__ = 'tylin' __version__ = '1.0.1' # Interface for accessing the Microsoft COCO dataset. # Microsoft COCO is a large image dataset designed for object detection, # segmentation, and caption generation. pycocotools is a Python API that # assists in loading, parsing and visualizing the annotations in COCO. # Ple...
CivilNet/Gemfield
dockerfiles/py-faster-rcnn/files/gemfield/py-faster-rcnn/lib/pycocotools/coco.py
Python
gpl-3.0
14,891
[ "VisIt" ]
6ee13da76ab022a328af1d1d1e61fe634e63627088bc9b77f7e80dcf9861604b
import sys import unittest sys.path.append("..") from NeuralNet import * class NeuronTest(unittest.TestCase): def testWeights(self): _weights = 10 Neuron = neuron(_weights) self.assertEqual(len(Neuron.weights),_weights+1) self.assertEqual(Neuron.numinputs,_weights+1) self.assertNotEqual(Neuron.weights,Non...
washt/NeuralNetPy
tests/nnetTest.py
Python
mit
1,445
[ "NEURON" ]
f4fb1bf000eb1a7c35371e71e15207e495fe3cf548e6e571eac55c43c714dc1f
# Copyright (C) 2015-2022: The University of Edinburgh # Authors: Craig Warren and Antonis Giannopoulos # # This file is part of gprMax. # # gprMax 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 Foundatio...
gprMax/gprMax
gprMax/optimisation_taguchi.py
Python
gpl-3.0
20,476
[ "Gaussian" ]
90bd868a111fdbd358d393eeee665ed24de583b3aa8d94b59365a334e869ab15
# Copyright 2014-2018 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 # # Unless required by appl...
gkc1000/pyscf
pyscf/pbc/tools/test/test_k2gamma.py
Python
apache-2.0
1,797
[ "PySCF" ]
da030a092e00136fed42aaf512f1f97c388259ebcfc8a17bb82a1f74c2fe2561
# -*- coding: UTF-8 -*- import numpy as np from numpy.fft import fft class fgn( object ) : """A class to generate fractional Gaussian process of fixed length using a circulant matrix method suggested by Dietrich and Newsam (1997). For the best performance N-1 should be a power of two.""" ## For better performance N...
ivannz/study_notes
year_14_15/course_project/release/processes/fgn_numpy.py
Python
mit
4,560
[ "Gaussian" ]
192c7419e52a8e9218bb86012fc9363415663253a94e7832840c4a3c1efdfcbe
# $Id$ # # Copyright (C) 2004-2006 Rational Discovery LLC # # @@ All Rights Reserved @@ # This file is part of the RDKit. # The contents are covered by the terms of the BSD license # which is included in the file license.txt, found at the root # of the RDKit source tree. # """ unit testing code for MOE-type des...
bp-kelley/rdkit
rdkit/Chem/EState/UnitTestVSA.py
Python
bsd-3-clause
1,529
[ "MOE", "RDKit" ]
174e5271a22811e5e9f02075bc9733561e4b03867fdedd898eb2f69737786d7c
#!/usr/bin/env python """Copyright 2008 Phidgets Inc. This work is licensed under the Creative Commons Attribution 2.5 Canada License. To view a copy of this license, visit http://creativecommons.org/licenses/by/2.5/ca/ """ __author__ = 'Adam Stelmack' __version__ = '2.1.4' __date__ = 'May 02 2008' #Basi...
jantman/tuxostat
fs_backup/home/tuxostat/devel/Python/LED-simple.py
Python
gpl-3.0
2,952
[ "VisIt" ]
c6a5cb35fcf9a829a85d3b79571e514fcb764fe42ef5ff0374745b727f4b3de2
# Copyright (c) 2012 Google Inc. All rights reserved. # Use of this source code is governed by a BSD-style license that can be # found in the LICENSE file. from __future__ import with_statement import errno import filecmp import os.path import re import tempfile import sys # A minimal memoizing decorator. It'll blo...
lianliuwei/gyp
pylib/gyp/common.py
Python
bsd-3-clause
15,816
[ "VisIt" ]
757cf8bdd0ba5156fb28d49f06961e189de692f7afc9f27b41ccd39abdbbdc0e
#!/usr/bin/env python 'A model of the earth and its magnetic field, with earth center as origin.' from __future__ import division # avoid integer division import numpy as np import mayavi from mayavi.mlab import * def makeRcoordinates(x,y,z): '''Makes r length and r^hat from coordinates''' r = np.sqrt(x**2 + ...
arve0/TFY4240-Semester-project
src/mag_field_flow.py
Python
mit
3,215
[ "Mayavi" ]
7b832762db67e19503a8114f591a51f29eaa2791df12a0732dfb408f38bd55b2
#!/usr/bin/python # -*- coding: utf-8 -*- # Copyright 2017 GIG Technology NV # # 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 requ...
rogerthat-platform/rogerthat-backend
src-test/rogerthat_tests/sourcechecks/test_sourcetest.py
Python
apache-2.0
4,576
[ "VisIt" ]
fb896d70be887c2c0d4e7be19965f5fb466e6670218f35fe5ca7fc2ffc2e2afb
#!/usr/bin/env python3 #pylint: disable=missing-docstring #* 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 ...
nuclear-wizard/moose
python/chigger/tests/exodus/test_ExodusReader.py
Python
lgpl-2.1
6,862
[ "MOOSE" ]
70bd3260a5edc942d966e17cdf2980d3d8a6116fddaa2b64415d03da29ba65fe
from schema_transformer.helpers import compose, single_result TEST_XML_DOC = b''' <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:dcq="http://purl.org/dc/terms/"> <records count="97" morepages="true" start="1" end="10"> <record...
fabianvf/schema-transformer
tests/utils.py
Python
apache-2.0
3,811
[ "Brian" ]
95ac82709477c5a99d490cb7e0eeab78d37ad92b8aeba36bd9a8f1749461bc4c
# sybase/base.py # Copyright (C) 2010-2019 the SQLAlchemy authors and contributors # <see AUTHORS file> # get_select_precolumns(), limit_clause() implementation # copyright (C) 2007 Fisch Asset Management # AG http://www.fam.ch, with coding by Alexander Houben # alexander.houben@thor-solutions.ch # # This module is par...
wujuguang/sqlalchemy
lib/sqlalchemy/dialects/sybase/base.py
Python
mit
31,953
[ "ASE" ]
3c19f96897b9a548d08eb11bbf2758bca1ea975f7418d8039992178ada3a942a
# -*- coding: utf-8 -*- """ Lower exception-related instructions. """ from pykit import types from pykit.ir import visit, FunctionPass class LowerExceptionChecksCostful(FunctionPass): """ Lower exception checks (check_error) using C-like checks: if (result == bad) goto error; """ ...
ContinuumIO/pykit
pykit/lower/lower_errcheck.py
Python
bsd-3-clause
758
[ "VisIt" ]
225407bf25893ac90903beae995d72da51da847efd29b619ca4d60e2950e977e
"""Support for package tracking sensors from 17track.net.""" from datetime import timedelta import logging from py17track import Client as SeventeenTrackClient from py17track.errors import SeventeenTrackError import voluptuous as vol from homeassistant.components.sensor import PLATFORM_SCHEMA from homeassistant.const...
turbokongen/home-assistant
homeassistant/components/seventeentrack/sensor.py
Python
apache-2.0
11,106
[ "VisIt" ]
0246c8541bb285badebf9ccc862e2965f4d279f7db19eebb38138374e2d8f858
""" Contains the user interface in the Universe class """ from galaxy.web.base.controller import * from galaxy.model.orm import * from galaxy import util import logging, os, string from random import choice log = logging.getLogger( __name__ ) require_login_template = """ <h1>Welcome to Galaxy</h1> <p> This insta...
dbcls/dbcls-galaxy
lib/galaxy/web/controllers/user.py
Python
mit
12,689
[ "Galaxy" ]
fba44d875f365511507cfbcdd004a22c2bca4e16af8a80b6b663b773a12a4a35
import matplotlib.pyplot as plt import os from astropy.table import Table import numpy as np # setup information sources degas = Table.read(os.path.join(os.environ['SCRIPTDIR'],'degas_base.fits')) stack = Table.read('/lustre/cv/users/akepley/degas/stack_test/stack_IR6p0_mom1.fits') plotDir = os.path.join(os.environ['...
low-sky/degas
scripts/plot_SFEdense_vs_mstar_combined.py
Python
gpl-3.0
2,351
[ "Galaxy" ]
091d46d64788bcc059eda2c29cfcb684dccf9c3b22c76a002e901e270db5b485
""" Linear Discriminant Analysis and Quadratic Discriminant Analysis """ # Authors: Clemens Brunner # Martin Billinger # Matthieu Perrot # Mathieu Blondel # License: BSD 3-Clause from __future__ import print_function import warnings import numpy as np from scipy import linalg from .extern...
beepee14/scikit-learn
sklearn/discriminant_analysis.py
Python
bsd-3-clause
27,308
[ "Gaussian" ]
bf199c3a631741a07394cfe909160e81badad2ebd7bfee5ff15f23c95f3b3b03
# Copyright 2014-2018 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 # # Unless required by appl...
gkc1000/pyscf
pyscf/pbc/mpicc/__init__.py
Python
apache-2.0
862
[ "PySCF" ]
ef18ca9bbf3f240124b9dc3e451a81e52d241279d40851647c08ad0707fe0688
import re import discord import Data import deco import utilities import misc import undecorated import MemeMachine import re import owner client = discord.Client() @client.event async def on_ready(): print('Logged in !') print('------------') @client.event async def on_message(message): if message.aut...
zenAndroid/zenBot
zenBot.py
Python
mit
1,864
[ "VisIt" ]
db4d37cc31c3b65fc7d0d264cbdaff1f4559dfcc5e029aa6646e72353a0f7977
#!/usr/bin/env python # # Data manager for reference data for the 'humann2' Galaxy tools import datetime import json import optparse import os import shutil import subprocess import sys HUMANN2_REFERENCE_DATA = { "full": "Full", "DEMO": "Demo", "uniref50_diamond": "Full UniRef50", "uniref50_ec_filtere...
blankclemens/tools-iuc
data_managers/data_manager_humann2_database_downloader/data_manager/data_manager_humann2_download.py
Python
mit
5,238
[ "Galaxy" ]
5d09d487e50fd27a6e03f2eeb0aaa1d3b5b0de740a5acb7f9b1e7cde59ca03aa
# -*- python -*- # -*- coding: utf-8 -*- # # Gramps - a GTK+/GNOME based genealogy program # # Copyright (C) 2001-2007 Donald N. Allingham, Martin Hawlisch # Copyright (C) 2009 Yevgeny Zegzda <ezegjda@ya.ru> # Copyright (C) 2010 Nick Hall # Copyright (C) 2013 Pat Lefebre # # This program is free soft...
sam-m888/addons-source
HtreePedigreeView/HtreePedigreeView.py
Python
gpl-2.0
83,738
[ "FLEUR" ]
e65e8b509ecdd7005d8943c835f5ac07c8cfa10d245c7698a70a899633739631
################################################################################ # The Neural Network (NN) based Speech Synthesis System # https://svn.ecdf.ed.ac.uk/repo/inf/dnn_tts/ # # Centre for Speech Technology Research # ...
ronanki/merlin
src/layers/mdn_layers.py
Python
apache-2.0
16,415
[ "Gaussian" ]
205a848cc8d428b56b857cb3b6ff393a89ac92c0539d85ad04ee4f3cf6661bcd
from asap3 import * from ase.lattice.cubic import FaceCenteredCubic from asap3.testtools import ReportTest print "Making atoms" atoms = FaceCenteredCubic(directions=[[1,0,0],[0,1,0],[0,0,1]], size=(25,25,25), symbol="Cu") memory_usage(atoms) print "Attaching EMT potential" atoms.set_calculat...
auag92/n2dm
Asap-3.8.4/Test/PrintMemory.py
Python
mit
439
[ "ASE" ]
adbf8c95505453d4a813213e189104350a5e328d4f1ea039c3bac2be7835c100
# coding=utf-8 # Copyright 2018 The Google AI Language Team Authors. # # 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 ...
google-research/language
language/serene/model.py
Python
apache-2.0
12,697
[ "Gaussian" ]
857ecc093abd5c516d05e212239610341121e381dd459149fe53d22449001db6
#!/usr/bin/env python3 try: import http.client as httplib except ImportError: import httplib import httplib2 import os import sys import errno from time import sleep from decimal import Decimal from . import consts from google_auth_oauthlib.flow import InstalledAppFlow from googleapiclient.discovery import ...
NikhilNarayana/FRC-CLI-Youtube-Uploader
frcuploader/youtube.py
Python
gpl-3.0
7,809
[ "VisIt" ]
fd99a76a6e8957c27579855ff41ec115a944f87563d6e7a5bbd69c32b9c8d231
import pygame as pg from .fastfont import Fastfont black = (0, 0, 0) white = (255,255,255) darkgrey = (25, 25, 48) grey = (84, 84, 114) darkblue = (25, 25, 64, 100) white = (255, 255, 255) green = (0, 255, 0) blue = (0, 0, 255) red = (255, 0, 0) lightgreyblue = (130, 150, 190) # waypoint symbol color lightgreygree...
ProfHoekstra/bluesky
bluesky/ui/pygame/console.py
Python
gpl-3.0
5,866
[ "Amber" ]
7c965ff2245f13e7c284ec31befbf00a3585aab9a9575747d87f0f5a5c0136ff
from . import core, utils import cgt import ctypes, os.path as osp, hashlib, numpy as np, sys, subprocess, string, os, time, traceback, cPickle from collections import defaultdict, namedtuple from StringIO import StringIO import logging def function(inputs, outputs, dbg=None, updates=None, givens=None): assert isi...
jameshensman/cgt
cgt/compilation.py
Python
mit
35,903
[ "VisIt" ]
da7f20f6d94d11d02266f0a564ef036b818588b9aba828a2159df8d0e17535d9
#------------------------------------------------------------------------------ # # This file is part of the SternheimerGW code. # # Copyright (C) 2010 - 2018 # Henry Lambert, Martin Schlipf, and Feliciano Giustino # # SternheimerGW is free software: you can redistribute it and/or modify # it under the terms of the GNU...
mmdg-oxford/SternheimerGW
install/generate_library.py
Python
gpl-3.0
2,232
[ "ESPResSo" ]
63d20e44cbfdb02f75c6d1bc6245ac54df318925bfbec5af6745aa9fa43edd07
""" Copyright (c) 2015 Andreea Georgescu Created on Fri May 8 15:56:32 2015 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. ...
SamWitte/Codds_DarkMatter
src/Data/CDMSSiArtif.py
Python
gpl-2.0
3,319
[ "Gaussian" ]
85a14272692c8b36c80547f2e806f85743c8b3e6bbd18197a196d562ba963616
# Copyright 2014-2018 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 # # Unless required by appl...
gkc1000/pyscf
pyscf/nao/test/test_0032_exc.py
Python
apache-2.0
1,202
[ "PySCF" ]
d43fe519337c7cfa4e2a9a7de0732e2c0ab40591d0a84f3292425b620dd43ac1
import operator from functools import partial import numpy as np from .. import Variable from ..conventions import pop_to, cf_encoder from ..core import indexing from ..core.utils import (FrozenOrderedDict, NDArrayMixin, close_on_error, is_remote_uri) from ..core.pycompat import iteritems, b...
clarkfitzg/xray
xray/backends/netCDF4_.py
Python
apache-2.0
9,252
[ "NetCDF" ]
8d121b86de3a5e2836197dbdd2f06361d7353afc53d690d19747189122786140
# -*- coding: utf-8 -*- # SyConn - Synaptic connectivity inference toolkit # # Copyright (c) 2016 - now # Max-Planck-Institute of Neurobiology, Munich, Germany # Authors: Philipp Schubert import time from multiprocessing import Queue, Process from typing import Optional import networkx as nx import numpy as np from ...
StructuralNeurobiologyLab/SyConn
syconn/exec/exec_render.py
Python
gpl-2.0
14,228
[ "NEURON" ]
ef194b6568a5709fb7dab8fafab9668ddc9b93288c8350198dd8fd423d6a7f73
#!/usr/bin/env python -i # preceeding line should have path for Python on your machine # vizplotgui_pymol.py # Purpose: viz running LAMMPS simulation via PyMol with plot and GUI # Syntax: vizplotgui_pymol.py in.lammps Nfreq compute-ID # in.lammps = LAMMPS input script # Nfreq = plot data point and v...
ganzenmg/lammps_current
python/examples/vizplotgui_pymol.py
Python
gpl-2.0
4,404
[ "LAMMPS", "PyMOL" ]
3bca16212357ba35ecc3d0b0d3c71ee167a66a52084a578fe14e114ebb1c239c
#!/usr/bin/env python # # ----------------------------------------------------------------------------- # Copyright (C) 2016 Daniel Standage <daniel.standage@gmail.com> # # This file is part of tag (http://github.com/standage/tag) and is licensed # under the BSD 3-clause license: see LICENSE. # ------------------------...
standage/tag
tag/tests/test_cli.py
Python
bsd-3-clause
4,767
[ "ABINIT" ]
6bd7b363e1a6885f55a03df24871024fc5b443e7ee4665d33ce7cfd753cdec71
# # @BEGIN LICENSE # # Psi4: an open-source quantum chemistry software package # # Copyright (c) 2007-2017 The Psi4 Developers. # # The copyrights for code used from other parties are included in # the corresponding files. # # This program is free software; you can redistribute it and/or modify # it under the terms of ...
kratman/psi4public
psi4/driver/qcdb/cov_radii.py
Python
gpl-2.0
5,363
[ "Psi4" ]
e82efd4b62d3737bf17af0a5952c10a228308ad5bb1e70a6c1dc97ab9e478229
#!/usr/bin/env python ######################################################################## # $HeadURL$ ######################################################################## """ Ban one or more Storage Elements for usage """ __RCSID__ = "$Id$" import DIRAC from DIRAC.Core.Base im...
coberger/DIRAC
DataManagementSystem/scripts/dirac-admin-ban-se.py
Python
gpl-3.0
8,432
[ "DIRAC" ]
56548845b47d4b93307cf2db7f8e5a2470c9e033fc24561323fef4e566a452ec
""" Use these tags and filter when you're rolling your own search results. This is intended to be a whole templatetags module. I keep it in my apps as templatetags/search.py. These should not be used to perform search queries, but rather render the results. Basics ------- There are three functions, each has both a ...
Alir3z4/django-kewl
django_kewl/templatetags/search.py
Python
bsd-3-clause
11,201
[ "Brian" ]
3236f18ae7210a603d42e0e567c39e1fc6b6f4cbda13f012f7567cffa602b84f
# Copyright 2011 Luc Saffre # License: BSD (see file COPYING for details) """ This is for writing fixtures that import data from an MS-Access database (:xfile:`.mdb`) into Lino. Usage examples see :mod:`lino.projects.pcsw.fixtures.pp2lino` and :mod:`lino.projects.crl.fixtures.hs2lino`. It uses `mdb-export` to extr...
khchine5/lino
lino/utils/mdbtools.py
Python
bsd-2-clause
5,749
[ "Brian" ]
ac32260d9256d4fca5a047179dccbde432614d546ec66c92caf95305b07eb09b
import numpy as np import pytest import logging import skimage import tempfile import nibabel from spinalcordtoolbox.scripts import sct_compute_snr logger = logging.getLogger(__name__) # Declare the signal intensity in the object created in the dummy_*() functions. This object will be used to compute # the SNR usin...
neuropoly/spinalcordtoolbox
testing/cli/test_cli_sct_compute_snr.py
Python
mit
12,233
[ "Gaussian" ]
b4bcac46acce297b08837d7efa3b89ad9f8d18e23be24e44822554c253efffe1
# (c) 2012, Michael DeHaan, <michael.dehaan@gmail.com> # (c) 2017 Ansible Project # GNU General Public License v3.0+ (see COPYING or https://www.gnu.org/licenses/gpl-3.0.txt) # Make coding more python3-ish from __future__ import (absolute_import, division, print_function) __metaclass__ = type DOCUMENTATION = ''' ...
valentin-krasontovitsch/ansible
lib/ansible/plugins/callback/osx_say.py
Python
gpl-3.0
2,870
[ "exciting" ]
083f199462bf1e7ee919db16203363c063ca0a38757da3656493c780aea51fa4