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from cardboard import types from cardboard.ability import ( AbilityNotImplemented, spell, activated, triggered, static ) from cardboard.cards import card, common, keywords, match @card("Raven Familiar") def raven_familiar(card, abilities): def raven_familiar(): return AbilityNotImplemented def r...
Julian/cardboard
cardboard/cards/sets/urzas_legacy.py
Python
mit
28,079
[ "Elk", "TINKER" ]
76cd22e17a4a53fef90901f6769bc6e2560d1a5ebcd7c957e360b44ad58fbba3
#!usr/bin/env python # This file is part of splitleafs. # # Splitleafs 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. ...
jbarnoud/splitleafs
test_splitleafs.py
Python
gpl-3.0
13,324
[ "Gromacs" ]
4638d57a55784b1832b6084c4f7f3b11167101c4d5471e502b6b53a79c1ed02c
import rospy import random import std_msgs.msg from randgen_omni_dataset.msg import CustomOdometry as customOdometryMsg from randgen_omni_dataset.srv import SendString, SendStringResponse LEFT_T_WF = 0.010 RIGHT_T_WF = 0.015 MEAN_R1_WF = 0.000 STD_R1_WF = 0.001 MEAN_R2_WF = 0.000 STD_R2_WF = 0.001 MEAN_T_R = 0 STD_T_...
guilhermelawless/randgen_omni_dataset
randgen_omni_dataset/src/randgen_omni_dataset/odometry.py
Python
gpl-3.0
8,155
[ "Gaussian" ]
99fc5a0bcb778a5c22bf3cf545911170774fa63c2fdf394987d34d112338a32a
#!/usr/bin/env python # -*- coding: utf-8 -*- ''' ========================================================================= Program: Visualization Toolkit Module: TestNamedColorsIntegration.py Copyright (c) Ken Martin, Will Schroeder, Bill Lorensen All rights reserved. See Copyright.txt or http://www....
HopeFOAM/HopeFOAM
ThirdParty-0.1/ParaView-5.0.1/VTK/Rendering/Volume/Testing/Python/VolumePicker.py
Python
gpl-3.0
9,122
[ "VTK" ]
6e080973cebd441e59336b3b4e3bd22372e4a3a757b5978df00c0b2501a84488
# -*- coding: utf-8 -*- # # Copyright 2012 - 2013 Brian R. D'Urso # # This file is part of Python Instrument Control System, also known as Pythics. # # Pythics 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...
dursobr/Pythics
pythics/examples/laplace.py
Python
gpl-3.0
3,999
[ "Brian" ]
faaf825e4725b647251a970d859c559b5c749480a020873fea337716800b3ce1
import requests import nb import distributions def load_data(): # Loading, formatting and partitioning the data set: # This data set is described here: https://archive.ics.uci.edu/ml/datasets/Statlog+(German+Credit+Data) raw_data = requests.get("https://archive.ics.uci.edu/ml/machine-learning-database...
ashkonf/HybridNaiveBayes
src/test.py
Python
mit
4,131
[ "Gaussian" ]
a581d3ef8efa6a1eb5aa03d0d52676f1370c9280651e627adce65fd2a612abfb
#!/usr/bin/env python3 import os import sys import random import time from random import seed, randint import argparse import platform from datetime import datetime import imp from time import sleep import fileinput # from run_parameter import * parser = argparse.ArgumentParser( description="This is a python3 scri...
luwei0917/awsemmd_script
archive/run.py
Python
mit
6,757
[ "Brian", "LAMMPS" ]
bdb18f86d456791b322117f51dae148654ebe0dae5f30ae0f7a765829909074f
import idc import idautils import idaapi import time from sets import Set import pydot out_file = "call_graph.png" def generate_graph(): callees = dict() # Loop through all the functions in the binary for function_ea in idautils.Functions(): f_name = GetFunctionName(function_ea) # For each of the incoming r...
sam-b/ida-scripts
call_graph.py
Python
unlicense
1,724
[ "VisIt" ]
083ab8016edd009efd53142199d0e931eed073e4555d0aed381df563ee8efd66
# $HeadURL$ __RCSID__ = "$Id$" from DIRAC import gConfig, S_OK, S_ERROR from DIRAC.Core.Utilities.SOAPFactory import getSOAPClient def _processListReturn( soapReturn ): data = [] for entry in soapReturn: data.append( str( entry ) ) return data def _processListDictReturn( soapReturn ): data = [] for ent...
coberger/DIRAC
Core/Security/VOMSService.py
Python
gpl-3.0
3,570
[ "DIRAC" ]
1628a83f60d8098aa90183e2787a228f5c9dcbef44f45ad26cad6d5ea33a5579
# coding=utf-8 # Copyright 2022 The Uncertainty Baselines 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 ap...
google/uncertainty-baselines
baselines/clinc_intent/sngp.py
Python
apache-2.0
20,747
[ "Gaussian" ]
ae5755ea060e6a95fdfb500b87989ac50f5f9f9c686c8f3b34b31cd7037ff53b
"""Disentangling Time-series Spectra with Gaussian Processes: Applications to Radial Velocity Analysis https://github.com/iancze/psoap """ # Always prefer setuptools over distutils from setuptools import setup, find_packages # To use a consistent encoding from codecs import open from os import path import numpy as n...
iancze/PSOAP
setup.py
Python
mit
4,818
[ "Gaussian" ]
1d945d8e90261664d746734d0055fb0bfe1e316a5b19ba94d462fe2b74a78955
import numpy as np from mdtraj.testing import eq from sklearn.base import clone from sklearn.metrics import adjusted_rand_score from msmbuilder.cluster import LandmarkAgglomerative random = np.random.RandomState(2) def test_1(): x = [random.randn(10, 2), random.randn(10, 2)] n_clusters = 2 model1 = Lan...
stephenliu1989/msmbuilder
msmbuilder/tests/test_agglomerative.py
Python
lgpl-2.1
1,925
[ "MDTraj" ]
8ee7feec3a2c02c5ed1be67a9dd41553fb0f03f1531eac7103ca2818668625c7
from __future__ import print_function import sys import argparse import string import functools from Bio.SeqIO import parse, FastaIO from Bio.Data import IUPACData from . import util from . import ctleptop # Maximum amount of permutations for ambiguous sequences that will # be generated MAX_PERMS = 100 def parse_a...
VDBWRAIR/bio_bits
bio_bits/fasta.py
Python
gpl-2.0
4,383
[ "Biopython" ]
8966c901545932baecb7b954162fc12f567e7aee9acc17391a3301eccf1b8336
#!/usr/bin/env ganga import getpass from distutils.util import strtobool b=Job() b.application=DaVinci(version='v36r5') b.application.optsfile='NTupleMaker.py' b.outputfiles=[DiracFile('Output.root')] b.inputdata=browseBK() b.splitter = SplitByFiles(filesPerJob=10) com=raw_input('Enter Comment for this job: ') b.comm...
Williams224/davinci-scripts
kstetappipieta/pipietaJobSubmit.py
Python
mit
405
[ "DIRAC" ]
562a45c81b7cbfdb27ae1e4c98235e115df8b2b3a91a65afe87a671f9ccc156e
""" This is a test of the AuthServer. Requires authlib, pyjwt, dominate It supposes that the AuthDB is present and installed in DIRAC """ import pytest from mock import MagicMock import DIRAC DIRAC.initialize() # Initialize configuration from DIRAC import S_OK from DIRAC.FrameworkSystem.private.authorization im...
DIRACGrid/DIRAC
tests/Integration/Framework/Test_AuthServer.py
Python
gpl-3.0
3,402
[ "DIRAC" ]
dbfaa6698b10fbf8781e91c7904dfdd49b945bcee2ab90821c996ffb2a060673
# coding: utf-8 from __future__ import division, unicode_literals """ TODO: Modify module doc. """ __author__ = "Shyue Ping Ong" __copyright__ = "Copyright 2012, The Materials Project" __version__ = "0.1" __maintainer__ = "Shyue Ping Ong" __email__ = "shyuep@gmail.com" __date__ = "6/6/13" import unittest import os...
rousseab/pymatgen
pymatgen/io/tests/test_nwchem.py
Python
mit
12,007
[ "NWChem", "pymatgen" ]
aab2e2083707aa19b4d3259704bd55f66b3a399edf0ed1b1fa0672bc94505243
# # @BEGIN LICENSE # # Psi4: an open-source quantum chemistry software package # # Copyright (c) 2007-2021 The Psi4 Developers. # # The copyrights for code used from other parties are included in # the corresponding files. # # This file is part of Psi4. # # Psi4 is free software; you can redistribute it and/or modify #...
ashutoshvt/psi4
psi4/driver/procrouting/empirical_dispersion.py
Python
lgpl-3.0
13,952
[ "Psi4" ]
0989ed1016a07fee07fbc164f14856ba5847bdf768654fc19ae3712cddec9e8f
# !usr/bin/env python2 # -*- coding: utf-8 -*- # # Licensed under a 3-clause BSD license. # # @Author: Brian Cherinka # @Date: 2017-04-28 11:34:06 # @Last modified by: Brian Cherinka # @Last Modified time: 2018-07-13 13:59:20 from __future__ import print_function, division, absolute_import import pytest from marvi...
albireox/marvin
python/marvin/tests/web/conftest.py
Python
bsd-3-clause
8,329
[ "Brian" ]
0945a9f31519070cf0e09dd933bbccf9e022ab61ca47b9e63979d1b3ac0f79d2
# $Id$ # pylint: disable-msg=E1101 # pylint: disable-msg=W0201 import math import sys import os import os.path import bisect import heapq import pprint import time import random import tempfile import shutil import cPickle import logging import socket from cStringIO import StringIO try: import threading except Impo...
lidaobing/itcc
itcc/ccs2/loopclosure.py
Python
gpl-3.0
29,130
[ "TINKER" ]
cf59ec3205f789d78e74a656c8e507298f96bdf3da7a77ae85f7c6d947c62b4e
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. """ This module provides utilities to chunk large sequences and display progress bars during processing. """ import math def get_chunks(sequence, size=1): """ Args: sequence (): size ...
gVallverdu/pymatgen
pymatgen/util/sequence.py
Python
mit
1,493
[ "pymatgen" ]
7ae25560e61e79eaf458c972ef58d74a5f7d14210df0e4ff7da342b3f849327a
# Copyright 2019 The TensorFlow Probability 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 applicable law o...
tensorflow/probability
tensorflow_probability/python/bijectors/ffjord.py
Python
apache-2.0
17,331
[ "Gaussian" ]
187bb6fe6cb0362e43b0209534d7117b5ca8ac83ade629f931f8030207bfdf60
############################################################################## # 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...
skosukhin/spack
var/spack/repos/builtin/packages/r-affxparser/package.py
Python
lgpl-2.1
2,177
[ "Bioconductor" ]
9782dcae599f2dfffb288d6f6054f8b824d7e0cd11b5b12d9df802a4901c6beb
# -*- coding: utf-8 -*- # # balancedneuron.py # # This file is part of NEST. # # Copyright (C) 2004 The NEST Initiative # # NEST 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,...
terhorstd/nest-simulator
pynest/examples/balancedneuron.py
Python
gpl-2.0
7,621
[ "NEURON" ]
464a14ad60ab5e796068826b21e58ea9cf0e70eff5a007c0adc1721473f91786
from ase import Atom from gpaw import GPAW from gpaw.cluster import Cluster from gpaw.test import equal h=0.40 txt = None txt = 'mgga_sc.txt' s = Cluster([Atom('H')]) s.minimal_box(4., h=h) s.set_initial_magnetic_moments([1]) # see https://trac.fysik.dtu.dk/projects/gpaw/ticket/244 s.set_cell((8.400000,8.400000,8.400...
robwarm/gpaw-symm
gpaw/test/mgga_sc.py
Python
gpl-3.0
834
[ "ASE", "GPAW" ]
73755496e22b007a9ea8aaa34401029dd36532030cc1e55911d08ca51939f59f
from rope.base import pyobjects, exceptions, stdmods from rope.refactor import occurrences from rope.refactor.importutils import importinfo class ImportInfoVisitor(object): def dispatch(self, import_): try: method_name = 'visit' + import_.import_info.__class__.__name__ method = ge...
skycucumber/restful
python/venv/lib/python2.7/site-packages/rope/refactor/importutils/actions.py
Python
gpl-2.0
13,992
[ "VisIt" ]
2f4ed3f178d2a4dc9b02f8fb0e87f15ca79632526c19e49ce559ee432fd46fb5
# # @BEGIN LICENSE # # Psi4: an open-source quantum chemistry software package # # Copyright (c) 2007-2016 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 ...
kannon92/psi4
psi4/driver/procedures/proc_util.py
Python
gpl-2.0
5,730
[ "Psi4" ]
c12b1317f4bda2c71fcc818d633c2ce050641154e19dc91a2ee79735e2ca0348
""" Copyright (c) 2015 Andreea Georgescu Created on Fri May 8 15:04:52 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/CDMSSiGeArtif.py
Python
gpl-2.0
3,834
[ "Gaussian" ]
a85b639f57a78054f1588682bda01fbe293d6149029707ffb2db687974bb5a50
#!/usr/bin/python import sys, os, os.path f = open('body/pressureDrop.tex', 'w') f.write( ''' \\begin{figure}[!htbp] \centering \includegraphics[width=0.8\\textwidth]{figs/pressureDrop} \caption{The pressure drop of different points in time domain from: a) Xiao et al.'s CICP paper, b) present ...
iurnus/SediFoam
cases/auto-testing/test-report-generation/essential/pressureDrop.py
Python
gpl-2.0
566
[ "LAMMPS" ]
9de1b0ec35e534c83017a8c5e42b3c1eb732eb4a168847092bd79c82d4d3e0d2
# -*- coding: utf-8 -*- # # Copyright (C) 2015-2019 Bitergia # # 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. # # This ...
grimoirelab/GrimoireELK
grimoire_elk/enriched/enrich.py
Python
gpl-3.0
43,044
[ "Elk" ]
40c21f9f02dac2f921f0f14612035d16dadf6404bee26c8b133c0af5a211aba1
import sys import pysam from os import listdir from os.path import isfile, join from BCBio import GFF class Replicons(object): def __init__(self, control_libs, tagged_libs, gff_folder, features, sub_features): self._libs = control_libs + tagged_libs self._gff_folder = gff_folder ...
tbischler/PEAKachu
peakachulib/replicons.py
Python
isc
4,159
[ "pysam" ]
8b2dcf03c893a883873393b5ccc62014b3f0598ee002f1d6a828ce777050f133
# $Id$ from itcc.tinker import tinker __revision__ = '$Rev$' def main(): import sys if 2 <= len(sys.argv) <= 3: lines = tinker.constrain(*(sys.argv[1:])) for x in lines: print x, else: import os.path print >> sys.stderr, 'Usage: %s xyzfname [param]' % os.path.b...
lidaobing/itcc
itcc/tinker/constrain.py
Python
gpl-3.0
400
[ "TINKER" ]
c3f77b9fca52d6c1ddb02385db24ee391180f4c752e2ea2feab67b9babd6f16b
#!/usr/bin/env python # coding: utf-8 import sys import os import re vimcommands = { "set": "se", "function": "fu", "return": "retu", "echo": "ec", "echoerr": "echoe", "echohl": "echoh", "echomsg": "echom", "echon": "echon", "else": "el", "elseif": "elsei", "endif": "en", ...
EinfachToll/vsc
ftplugin/vsc.py
Python
mit
20,177
[ "BLAST" ]
c4dbdac898fef8827d41da820cd56b8a1ede897aef74aef7baeb3c4a64004637
#!/usr/bin/env python # I create cubature using Gauss-Legendre or Gauss-Hermite quadrature. # The first input chooses which. # The second input is the number of dimensions over which to integrate. # The next inputs are for GL the bounds of the UQ space supports, # for GH they are the average and standard deviation of t...
zat1gi/stochastic
auxiliary/cubature/gen_ordered_cubature.py
Python
bsd-3-clause
4,477
[ "Gaussian" ]
d802ab12be7f0058ff581115e724053d0c27dab2452f8d4dc453df1b3cdf415d
# -*- coding: utf-8 -*- # Copyright (C) Duncan Macleod (2014-2020) # # This file is part of GWpy. # # GWpy 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)...
areeda/gwpy
gwpy/timeseries/timeseries.py
Python
gpl-3.0
84,167
[ "Gaussian" ]
372ad29ebefdef02725d684ba85c36daa7e880fb4ed103476d28f061b47b34c0
""" Save per-interface and per-feed configuration information. """ # Copyright (C) 2009, Thomas Leonard # See the README file for details, or visit http://0install.net. import os from xml.dom import minidom, XMLNS_NAMESPACE from zeroinstall import support from zeroinstall.support import basedir from zeroinstall.inj...
rammstein/0install
zeroinstall/injector/writer.py
Python
lgpl-2.1
2,595
[ "VisIt" ]
2c47b995e8219431efa48747f5a00b805826c1899fabe1b95cb5056d059ee8d5
import vtk import sys import os from os import listdir from os.path import isfile, join import Helpers import Utils import math outputFolder = "sv_workspace/" # modelsFolder = "../models/" args = sys.argv # if len(args) == 1: # modelFn = "new.obj" # meshFn = "new.vtp" # webModelsFolder = "webmodels" # el...
oblakr24/simvis-masters
python_parser/PreParser.py
Python
gpl-3.0
8,096
[ "VTK" ]
b8bf7a44ac3f82e0b39612528eec638d6175383cdb54348931641d21695fc20f
""" Some reports for the analysis """ import shutil import os import sys import copy from contextlib import closing from collections import Counter import pandas as pd import math import pysam import scipy.stats as stats from bcbio.utils import splitext_plus, file_exists, safe_makedir, chdir, append_stem from bcbio.l...
chapmanb/bcbio-nextgen
bcbio/wgbsseq/cpg_caller.py
Python
mit
12,269
[ "pysam" ]
0e7ebefb7f184466a9b11e92e1cc606448e7ba4b39c17ecaf054f4c818def026
""" Acceptance tests for the teams feature. """ import json import ddt from flaky import flaky from nose.plugins.attrib import attr from uuid import uuid4 from ..helpers import UniqueCourseTest from ...fixtures import LMS_BASE_URL from ...fixtures.course import CourseFixture from ...fixtures.discussion import ( T...
vasyarv/edx-platform
common/test/acceptance/tests/lms/test_teams.py
Python
agpl-3.0
47,538
[ "VisIt" ]
45780d3c283a507a5d0c7f85b583d7aa781a86897d1837c13df9acc418abcaa2
# -*- coding: utf-8 -*- from __future__ import unicode_literals from django.conf import settings from django.conf.urls import include, url from django.conf.urls.static import static from django.contrib import admin from django.views.generic import TemplateView from django.views import defaults as default_views urlpat...
zooming-tan/Project-AENEAS
config/urls.py
Python
bsd-3-clause
1,353
[ "VisIt" ]
95a765b4d6378deab934b444055ecd2f8d2aa25f194f2018cc4599def18ab571
# 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. """Produces localized strings.xml files for Android. In cases where an "android" type output file is requested in a grd, the classes in android_xml will...
chromium/chromium
tools/grit/grit/format/android_xml.py
Python
bsd-3-clause
7,188
[ "xTB" ]
f97e90086267ec55aa18f6b7fda4d7afb2c3397dc55359110f36053ddb158f26
# SVC library - usefull Python routines and classes # Copyright (C) 2006-2008 Jan Svec, honza.svec@gmail.com # # 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, o...
jurcicek/extended-hidden-vector-state-parser
svc/ui/gmtk/__init__.py
Python
gpl-2.0
38,894
[ "Gaussian" ]
4c65a4c2e9d3b505ad5d8930fa42bba4a58ed169d7b10f70dc17d822e987355b
import os.path import struct from .. import FileIO from ...weights import W from warnings import warn __author__ = "Myunghwa Hwang <mhwang4@gmail.com>" __all__ = ["Wk1IO"] class Wk1IO(FileIO.FileIO): """ MATLAB wk1read.m and wk1write.m that were written by Brian M. Bourgault in 10/22/93 Opens, reads, an...
sjsrey/pysal_core
pysal_core/io/IOHandlers/wk1.py
Python
bsd-3-clause
16,958
[ "Brian" ]
7aea7c05ae876563298ac6fe746a6e357c44b4766ed8c14406f079b2c70540c3
""" Functions for generating triggers from lists of devices. """ from typing import TypeVar from Firefly.helpers.device import CONTACT, CONTACT_CLOSE, CONTACT_OPEN, MOTION, MOTION_ACTIVE, MOTION_INACTIVE, PRESENCE, PRESENT, NOT_PRESENT TRIGGER_ACTION = TypeVar('TRIGGER_ACTION', dict, str) def generate_and_trigger(...
Firefly-Automation/Firefly
Firefly/helpers/automation/trigger_generators.py
Python
apache-2.0
5,216
[ "Firefly" ]
448167889b3382e2e06efd79dacf469c77dc8bb3d6f3a4cf654e00d9616de0df
# -*- Mode: Python; test-case-name: flumotion.test.test_feedcomponent010 -*- # vi:si:et:sw=4:sts=4:ts=4 # Flumotion - a streaming media server # Copyright (C) 2004,2005,2006,2007,2008,2009 Fluendo, S.L. # Copyright (C) 2010,2011 Flumotion Services, S.A. # All rights reserved. # # This file may be distributed and/or mo...
flumotion-mirror/flumotion
flumotion/component/feedcomponent010.py
Python
lgpl-2.1
37,620
[ "GULP" ]
ba5901dde477ff5e5882e3be1a3999213756ca7812a431ad07d3b9c959ac21a8
#!/usr/bin/env python # -*- coding: utf-8 -*- # # PCR-GLOBWB (PCRaster Global Water Balance) Global Hydrological Model # # Copyright (C) 2016, Edwin H. Sutanudjaja, Rens van Beek, Niko Wanders, Yoshihide Wada, # Joyce H. C. Bosmans, Niels Drost, Ruud J. van der Ent, Inge E. M. de Graaf, Jannis M. Hoch, # Kor de Jong,...
UU-Hydro/PCR-GLOBWB_model
model/spinUp.py
Python
gpl-3.0
8,730
[ "NetCDF" ]
97773e4d319ae0ca869e6c1b282c75125e3ce298e84df27098fd3cdf945e9df2
#!/usr/bin/python # # @author: Gaurav Rastogi (grastogi@avinetworks.com) # Eric Anderson (eanderson@avinetworks.com) # module_check: supported # Avi Version: 17.1.1 # # Copyright: (c) 2017 Gaurav Rastogi, <grastogi@avinetworks.com> # GNU General Public License v3.0+ (see COPYING or https://www.gnu.org/licenses...
noroutine/ansible
lib/ansible/modules/network/avi/avi_systemconfiguration.py
Python
gpl-3.0
6,560
[ "VisIt" ]
e91e6b5d314ecf3846a7ccd18ccf5a5c06f3e6d7ec7908a53da8fbd05ff765de
#!/usr/bin/env python # Copyright 2014-2019 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...
sunqm/pyscf
pyscf/x2c/sfx2c1e.py
Python
apache-2.0
10,994
[ "PySCF" ]
86dd92af8146ec873e4258d8360f3877537ab78048a9e39155e33983a70432f5
import sys import os from nltk.corpus import wordnet as wn def getChildList(synset): names = [] lemma_names = [] try: children = synset.hyponyms() for child in children: if type(child.lemma_names) is list: lemma_names = child.lemma_names else: ...
li-xirong/jingwei
model_based/dataengine/knowledge.py
Python
mit
1,257
[ "Jaguar" ]
067a3a922b503e1dc4f01f048bae878eca33330021dd955d3224cb3b5e866066
""" ============================================================ Empirical evaluation of the impact of k-means initialization ============================================================ Evaluate the ability of k-means initializations strategies to make the algorithm convergence robust as measured by the relative stan...
RPGOne/Skynet
scikit-learn-0.18.1/examples/cluster/plot_kmeans_stability_low_dim_dense.py
Python
bsd-3-clause
4,324
[ "Gaussian" ]
d38c946338cd316d05ee3a0aeca968ec9d9a0b28bda4368fff12dc222a199152
# 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/m_siesta2blanko_denvec.py
Python
apache-2.0
1,392
[ "PySCF" ]
e33e9e022088353fee789c4d46e047f28f2dd194de769d89977854af30198a9c
#!/usr/bin/env python # encoding: utf-8 # Thomas Nagy, 2010-2018 (ita) """ Classes and functions enabling the command system """ import os, re, imp, sys from waflib import Utils, Errors, Logs import waflib.Node # the following 3 constants are updated on each new release (do not touch) HEXVERSION=0x2001100 """Constan...
projecthamster/hamster
waflib/Context.py
Python
gpl-3.0
21,029
[ "VisIt" ]
70c9936b5b0a88af5206978b98f18cdf33c9743976c67319d77e88fc06da328c
""" mbed SDK Copyright (c) 2011-2019 ARM Limited SPDX-License-Identifier: Apache-2.0 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 ...
adfernandes/mbed
tools/toolchains/arm.py
Python
apache-2.0
30,412
[ "VisIt" ]
c361142ae7ca5a63fe2281c177095eb9be882cb1b662ee8c68c0b82a63c3402e
from __future__ import with_statement import os import sys import unittest import warnings if sys.version_info < (2, 6): warnings.simplefilter("ignore") else: warnings.simplefilter("always") import numpy from pyresample import kd_tree, utils, geometry, data_reduce def mp(f): f.mp = True return f ...
jhamman/pyresample
pyresample/test/test_kd_tree.py
Python
lgpl-3.0
47,115
[ "Gaussian" ]
3b2cd1c4e8c50fcba818127294e80ef027402965fd03300caef7c020c9e91c8e
#!/usr/bin/env python import sys import unittest from PyQt5 import QtWidgets import vtk from peacock.ExodusViewer.plugins.ContourPlugin import main from peacock.utils import Testing class TestContourPlugin(Testing.PeacockImageTestCase): """ Testing for ContourControl widget. """ qapp = QtWidgets.QAp...
backmari/moose
python/peacock/tests/exodus_tab/test_ContourPlugin.py
Python
lgpl-2.1
4,481
[ "VTK" ]
cc6e4b25eed6361f69c650ddef27a7338b3ab628b37a876f72260ae6f67d47f8
import numpy as np from .control import model_setup from .cp_confocal import twod from .cp_triplet import trip from .cp_mix import double_pnum # 2D + 2D + TT Gauß # Model 6044 def CF_Gxy_gauss_2D2DTT(parms, tau): u""" Two-component two-dimensional free diffusion with a Gaussian laser profile, including t...
paulmueller/PyCorrFit
pycorrfit/models/model_confocal_tt_2d_2d.py
Python
gpl-2.0
4,799
[ "Gaussian" ]
e5578683e0753e167cacacc75488ee27e9b99f160889dfb737f3891aebf26015
# emacs: -*- mode: python; py-indent-offset: 4; indent-tabs-mode: nil -*- # vi: set ft=python sts=4 ts=4 sw=4 et: import numpy as np from scipy import ndimage as nd from skimage import feature as skft from scipy.spatial import distance from nibabel.affines import apply_affine def mesh_3d_grid(x, y, z): """Create...
BNUCNL/FreeROI
froi/algorithm/imtool.py
Python
bsd-3-clause
8,753
[ "Gaussian" ]
bdebc1c6b54ff7952b4a470b777824edbe75a555d985663d45fcca71a6d38684
# -*- coding: utf-8 -*- # This file is public domain according to its author, Brian Hsu """Gist directive for reStructuredText.""" import requests from docutils.parsers.rst import Directive, directives from docutils import nodes from nikola.plugin_categories import RestExtension class Plugin(RestExtension): ""...
getnikola/nikola
nikola/plugins/compile/rest/gist.py
Python
mit
2,407
[ "Brian" ]
68b6979250e1deefbea8ced6a0c9d3c8a187a6b24549d367485cb275af37475b
# Copyright (C) 2012,2013 # 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 terms of t...
BackupTheBerlios/espressopp
src/analysis/PressureTensorLayer.py
Python
gpl-3.0
3,419
[ "ESPResSo" ]
8fa82678be6fac1163b1ed262f1cd0d9bf2b5ad93f857f101cdb190bd6bb328e
######################################################################## # $HeadURL$ # File : Optimizer.py # Author : Stuart Paterson ######################################################################## """ The Optimizer base class is an agent that polls for jobs with a specific status and minor status pair. ...
Sbalbp/DIRAC
WorkloadManagementSystem/Agent/OptimizerModule.py
Python
gpl-3.0
12,150
[ "DIRAC" ]
4231547551cb072a586d4cb899507ea99a21ee6ac7aa7f94d0f2924fe0001aea
# -*- coding: utf-8 -*- """ End-to-end tests for the LMS. """ from textwrap import dedent from unittest import skip from nose.plugins.attrib import attr from bok_choy.promise import EmptyPromise from bok_choy.web_app_test import WebAppTest from ..helpers import ( UniqueCourseTest, load_data_str, generate_...
jswope00/griffinx
common/test/acceptance/tests/lms/test_lms.py
Python
agpl-3.0
38,835
[ "VisIt" ]
564450aea9df855f886e893c3a12bf954884e1a4eb90cb8d68850469d8ba7897
from fabric.api import env, run, sudo, cd, abort, roles, execute, warn_only env.use_ssh_config = True # username, identity file (key), hostnames for machines will all be loaded from ~/.ssh/config # COMMON COMMANDS # fab update_test - puts newest master on the test server # fab deploy_live:tag=git_tag_from_repo - roll...
CottageLabs/sysadmin
fabric/oaspectrum/fabfile.py
Python
mit
4,958
[ "Octopus" ]
58f4dd14fc6e22429bc2131324edb8f991198462daa98acb0f7732c6b06a94f5
from __future__ import (absolute_import, division, print_function, unicode_literals) from matplotlib.externals import six from matplotlib.externals.six.moves import reduce, xrange, zip, zip_longest import math import warnings import numpy as np from numpy import ma import matplotlib from mat...
yuanagain/seniorthesis
venv/lib/python2.7/site-packages/matplotlib/axes/_axes.py
Python
mit
275,037
[ "Gaussian" ]
cc6e9870d64be4d7d3c19afa989f1bef7ea7cdf5b188a55a5845a2a9e686a86e
# ---------------------------------------------------------------------------- # Copyright (c) 2013--, scikit-bio development team. # # Distributed under the terms of the Modified BSD License. # # The full license is in the file COPYING.txt, distributed with this software. # --------------------------------------------...
gregcaporaso/scikit-bio
skbio/stats/ordination/tests/test_correspondence_analysis.py
Python
bsd-3-clause
8,193
[ "scikit-bio" ]
648bc18bf08a6bbfc3dd2104c004fd435977a33403e22bf822625f130bc06866
# -*- coding: utf-8 -*- """ Generators for random graphs. """ # Copyright (C) 2004-2011 by # Aric Hagberg <hagberg@lanl.gov> # Dan Schult <dschult@colgate.edu> # Pieter Swart <swart@lanl.gov> # All rights reserved. # BSD license. __author__ = "\n".join(['Aric Hagberg (hagberg@lanl.gov)', ...
jni/networkx
networkx/generators/random_graphs.py
Python
bsd-3-clause
29,650
[ "VisIt" ]
f21ce107b24e967a89621393079a039cd67aea0744434b37c2489f0dfd1065fd
########################################################################## # # Copyright 2010 VMware, Inc. # All Rights Reserved. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without res...
xranby/apitrace
retrace.py
Python
mit
11,308
[ "VisIt" ]
e8344bf2ac23e8530d8edbf1338a8fb78e358930c9eb407c32ee614cc7c4acfc
#!/usr/bin/python import os import sys import time import glob import tempfile def fail(subject, email=None, filename='/dev/null'): if email is not None: assert os.system('mail -s "%s" %s < %s' % (subject, email, filename)) == 0 raise SystemExit day = time.localtime()[6] if '-...
robwarm/gpaw-symm
tools/nightly_test_niflheim.el6.py
Python
gpl-3.0
3,731
[ "ASE", "GPAW" ]
37c632bc3efe674215d5725d748448cf45fc436fd91d7bd955ec10105d0953e3
# # @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 file is part of Psi4. # # Psi4 is free software; you can redistribute it and/or modify #...
jH0ward/psi4
psi4/driver/procrouting/dft_funcs/libxc_xc_funcs.py
Python
lgpl-3.0
11,826
[ "Psi4" ]
a57ec802d5c3beb82b44e17a8b598e6e3f720f10d7fa0c3d8aa7f6755763eab7
# (C) British Crown Copyright 2014 - 2016, Met Office # # This file is part of Iris. # # Iris 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 l...
zak-k/iris
lib/iris/tests/unit/fileformats/netcdf/test__load_cube.py
Python
gpl-3.0
10,257
[ "NetCDF" ]
29afa76dd77b4d926c8e352226c7137231ed7a11c63becdef6a3e5f7262aa861
#!/usr/bin/env python # -*- coding: utf-8 -*- """Extract fasta sequences that are above a minimal coverage. Usage: %program <input_file> <min_coverage> <output_file>""" import sys import re try: from Bio import SeqIO except: print "This program requires the Biopython library" sys.exit(0) try: f...
wkh124/wkh124
fasta_extract_min_coverage.py
Python
gpl-3.0
755
[ "Biopython" ]
0647a7d8cd748a1533e38e5cf02e227cc48ebefeab6228bec6743863b71fdf09
from __future__ import nested_scopes """ GSIServer - Contributed by Ivan R. Judson <judson@mcs.anl.gov> ################################################################################ # # SOAPpy - Cayce Ullman (cayce@actzero.com) # Brian Matthews (blm@actzero.com) # Gregory Warnes (G...
nzsquirrell/p2pool-myriad
oldstuff/SOAPpy/GSIServer.py
Python
gpl-3.0
5,238
[ "Brian" ]
1697a931fc78a4568fa22d5e9887949137a4ba904dacfeb14c37cff927c82e62
""" ModuleBase - contains the base class for workflow modules. Defines several common utility methods. The modules defined within this package are developed in a way to be executed by a DIRAC.Core.Worfklow.Worfklow. In particular, a DIRAC.Core.Workflow.Worfklow object will only call the "execute" function, tha...
Sbalbp/DIRAC
Workflow/Modules/ModuleBase.py
Python
gpl-3.0
21,560
[ "DIRAC" ]
706546e7fdc5346ad01b2a30dac989e2b7ba4f71e330bcc18a7abc4d6526264f
""" This class a wrapper around elasticsearch-py. It is used to query Elasticsearch database. """ __RCSID__ = "$Id$" from datetime import datetime from datetime import timedelta import certifi from elasticsearch import Elasticsearch from elasticsearch_dsl import Search, Q, A from elasticsearch.exceptions import Co...
hgiemza/DIRAC
Core/Utilities/ElasticSearchDB.py
Python
gpl-3.0
14,183
[ "DIRAC" ]
47535fcdc80d7cfa8148880f46fe2ee6bebbad23459a7c8f0ecbf8a7dce9db92
#-------------------------------------------------------------------------- # Software: InVesalius - Software de Reconstrucao 3D de Imagens Medicas # Copyright: (C) 2001 Centro de Pesquisas Renato Archer # Homepage: http://www.softwarepublico.gov.br # Contact: invesalius@cti.gov.br # License: GNU ...
tatiana/invesalius
invesalius/data/slice_data.py
Python
gpl-2.0
5,655
[ "VTK" ]
def4e72fd62035b34e08bf5e22b0a774d7a0a9d063b2f8fb60bc0187ad1c08e3
#!/usr/bin/env python import argparse import shutil import icqsol_utils # Parse Command Line. parser = argparse.ArgumentParser() parser.add_argument('--input', dest='input', help='Shape dataset selected from history') parser.add_argument('--input_file_format_and_type', dest='input_file_format_and_type', help='Input f...
pletzer/galaxy-csg
tools/icqsol_coarsen_shape/icqsol_coarsen_shape.py
Python
mit
1,789
[ "VTK" ]
afec9412a0f57e4141a121a284991a36bbfbd26eff0b0274c90ed34319573231
#!/usr/bin/env python3 # Copyright (C) 2009-2015, 2018 the PISM Authors # @package pism_python # \author the PISM authors # \brief Creates "from scratch" a boring dataset with the right format # to use as a PISM bootstrapping file. # \details Example use of Python for this purpose. # # Usage, including a minimal PISM...
pism/pism
examples/preprocessing/pism_python.py
Python
gpl-3.0
2,829
[ "NetCDF" ]
5b4ee874b8fba9bde6adeede1e61a6107b0a174c9f28d7cafc8858d354be1705
#!/usr/bin/env python ''' ViSAPy example script for generating benchmark corresponding to an in vivo tetrode recording ''' #import modules import uuid import urllib2 import zipfile import numpy as np import h5py import os import glob #workaround for plots on cluster if not os.environ.has_key('DISPLAY'): import matp...
espenhgn/ViSAPy
examples/example_figure_02.py
Python
gpl-2.0
14,940
[ "NEURON" ]
85aa8e627816f2f23f78c6556c2739abbcae40e37d3fcf96c5735a854b387471
from __future__ import absolute_import import numpy as np class Distribution(object): """A base class for probability distributions. The only thing that a probabilities distribution needs is a ``sample`` function. This base class ensures that all distributions accept the same arguments for the sample...
ZeitgeberH/nengo
nengo/utils/distributions.py
Python
gpl-3.0
3,756
[ "Gaussian" ]
43bb71f46238ee7e92eb96418fa79baa5cdd5f6f06fd8b3ef6eca70803332723
from __future__ import print_function import unittest from os import path from shyft import shyftdata_dir from shyft import api from shyft.repository.netcdf.arome_data_repository import AromeDataRepository from shyft.repository.netcdf.arome_data_repository import AromeDataRepositoryError class AromeDataRepositoryTes...
felixmatt/shyft
shyft/tests/test_arome_respository.py
Python
lgpl-3.0
13,471
[ "NetCDF" ]
333fb3b985ea5cc8e6e9f5e9fabd36f4ac412ccce979e34e8c0379428942dce9
# $HeadURL$ __RCSID__ = "$Id$" import DIRAC from DIRAC import gLogger, rootPath, gConfig from DIRAC.FrameworkSystem.private.monitoring.RRDManager import RRDManager from DIRAC.Core.Utilities.ReturnValues import S_OK, S_ERROR from DIRAC.Core.Utilities import DEncode, List class ServiceInterface: __sourceToComponentId...
Sbalbp/DIRAC
FrameworkSystem/private/monitoring/ServiceInterface.py
Python
gpl-3.0
17,192
[ "DIRAC" ]
5393f4e52dfbd9e4cb99dbc0159fed1ded5503e036b2b838551b11932567c1db
# # Copyright (C) 2013-2019 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...
KaiSzuttor/espresso
testsuite/python/virtual_sites_relative.py
Python
gpl-3.0
14,928
[ "ESPResSo" ]
db72e3ff972be46e9b4c966b47a68906a27d1627eddeb07557815b8fa46c05ca
from . import _version __version__ = _version.__version__ import os, math, pysam from clint.textui import progress, puts_err import sqlite3 as lite import tempfile, warnings, pickle def example_reads(): """ returns the path to the example BAM file """ return os.path.join(os.path.join(os.path.dirname(_...
jpiper/pyDNase
pyDNase/__init__.py
Python
mit
25,452
[ "pysam" ]
f0d06cc168f8afd56a872b902ae64b8dfdc09e3126fbb8c11a7e5963e296b82a
""" Node classes (`Apply`, `Variable`) and expression graph algorithms. To read about what theano graphs are from a user perspective, have a look at `graph.html <../doc/graph.html>`__. """ from __future__ import absolute_import, print_function, division from collections import deque from copy import copy from iterto...
JazzeYoung/VeryDeepAutoEncoder
theano/gof/graph.py
Python
bsd-3-clause
44,424
[ "VisIt" ]
1f15bb779e0a51d47c228a27a95e6ef299982d3f95778705f4a52a6aa7780687
import numpy as np import matplotlib.pyplot as plt from scipy.optimize import curve_fit from scipy import optimize def gaussian(height, center_x, center_y, width_x, width_y): """Returns a gaussian function with the given parameters""" width_x = float(width_x) width_y = float(width_y) return lambda ...
ColdMatter/EDMSuite
MoleculeMOTScripts/TweezerFuncs.py
Python
mit
28,295
[ "Gaussian" ]
bd4fc757a8bbb1cc8ff9af3d7659886dc1b6e45508830954a2118d38d8f79fee
""" vacation visitor """ from visitor import Visitor class VacationVisitor(Visitor): """ vacation visitor """ def visit(self, employee): # provide 3 extra vacation days employee.VacationDays += 3 print("{0} {1}'s new vacation days: {2}". format(type(employee).__n...
Sunhick/design-patterns
Behavioral/Visitor/vacation_visitor.py
Python
gpl-3.0
366
[ "VisIt" ]
e2b72ea81189b38a84395b6bb982d2aa30e147813ebf423f879925588eec6cda
try: paraview.simple except: from paraview.simple import * paraview.simple._DisableFirstRenderCameraReset() ImageFlip()
jeromevelut/Peavip
Testing/ImageFlip.py
Python
gpl-3.0
122
[ "ParaView" ]
4f9966d91672cf574a4ce0e63d9dddef547d1098d4d3c81f28605e1f4dff9082
# # Copyright (c) 2016 nexB Inc. and others. All rights reserved. # http://nexb.com and https://github.com/nexB/scancode-toolkit/ # The ScanCode software is licensed under the Apache License version 2.0. # Data generated with ScanCode require an acknowledgment. # ScanCode is a trademark of nexB Inc. # # You may not use...
yasharmaster/scancode-toolkit
tests/textcode/test_strings.py
Python
apache-2.0
6,067
[ "VisIt" ]
e8ca781eecf89e73614eda83f480dd451ccb752b1bedba4c073de4b78772106e
#!/usr/bin/env python #encoding=utf8 #Copyright [2014] [Wei Zhang] #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 ...
anthonylife/TaobaoCompetition2014
src/mbtalmf/train.py
Python
gpl-2.0
3,123
[ "Gaussian" ]
c7f79abaab78d27cb3f6d863c4b1c65987c90a714ca96018b7859b87b0038782
#!/usr/bin/python # # @BEGIN LICENSE # # Psi4: an open-source quantum chemistry software package # # Copyright (c) 2007-2019 The Psi4 Developers. # # The copyrights for code used from other parties are included in # the corresponding files. # # This file is part of Psi4. # # Psi4 is free software; you can redistribute...
dgasmith/psi4
doc/sphinxman/document_driver.py
Python
lgpl-3.0
4,549
[ "Psi4" ]
3dbb1d2d3a56f1ff25fe7d63b479ba3f737ef1e445d58a6be30f9d0d1417d5a3
# class generated by DeVIDE::createDeVIDEModuleFromVTKObject from module_kits.vtk_kit.mixins import SimpleVTKClassModuleBase import vtk class vtkTextureMapToCylinder(SimpleVTKClassModuleBase): def __init__(self, module_manager): SimpleVTKClassModuleBase.__init__( self, module_manager, ...
chrisidefix/devide
modules/vtk_basic/vtkTextureMapToCylinder.py
Python
bsd-3-clause
499
[ "VTK" ]
c669055db6b3f99280a7571d3148336cb35e39674b156d0c20cb9311c64909b1
#!/usr/bin/env python # -*- coding: utf-8 -*- import json import random import pytest from marshmallow import Schema, fields, utils, MarshalResult, UnmarshalResult from marshmallow.exceptions import MarshallingError from marshmallow.compat import unicode, binary_type from tests.base import * # noqa random.seed(1...
jmcarp/marshmallow
tests/test_serializer.py
Python
mit
35,818
[ "Brian" ]
8df965b52aa75eb200ba5d049b28230654a5616daab839c3ae0cc7c0cf26f204
# -*- coding: utf-8 -*- # Copyright 2019 The GraphicsFuzz Project 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 # # https://www.apache.org/licenses/LICENSE-2.0 # # Unless requi...
google/graphicsfuzz
gfauto/gfautotests/test_signature_util.py
Python
apache-2.0
18,535
[ "Amber" ]
3055bb20d0c45f7cbc57c33f28fbd50bbe5c43f917bc415b43898b1dfa9107e5
#!/usr/local/bin/env python """ Test repex.py facility. TODO * Create a few simulation objects on simple systems (e.g. harmonic oscillators?) and run multiple tests on each object? """ # ============================================================================================= # GLOBAL IMPORTS # ===============...
pgrinaway/yank
Yank/tests/test_repex.py
Python
lgpl-3.0
16,898
[ "OpenMM" ]
d4bc552d7597a8afea612588c6326c9475d6fe53b9639e92f10cacad49a8471c
''' 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. This program is distributed in the hope that it will be...
sanctuaryaddon/sanctuary
plugin.video.quantum/lib/Football_Repeat.py
Python
gpl-2.0
22,571
[ "CRYSTAL" ]
bb50cbd39e1f810064db226ad4222ec86e92cce3b042549aec94f26b03eb7dc3
from flask import Flask app = Flask(__name__) @app.route('/') def hello_world(): return 'Hello World!' @app.route('/DIRAC/') def index(): return 'keep calm...' if __name__ == '__main__': #app.run(debug=True) app.run()
SuperDIRAC/TESTDIRAC
WebServerSystem/tmpdir/simpleFlask.py
Python
gpl-3.0
237
[ "DIRAC" ]
79bccfac69029546dd2cf9832fe7cfef77c38290ac2c265f6293a5acef339c73
# # @BEGIN LICENSE # # Psi4: an open-source quantum chemistry software package # # Copyright (c) 2007-2021 The Psi4 Developers. # # The copyrights for code used from other parties are included in # the corresponding files. # # This file is part of Psi4. # # Psi4 is free software; you can redistribute it and/or modify #...
lothian/psi4
psi4/driver/procrouting/wrappers_cfour.py
Python
lgpl-3.0
36,345
[ "CFOUR", "Psi4" ]
8df49fe377758e6b5230653221bedc0714d738d5d512104a6bbaac305e9bd0dc
# Licensed to the Apache Software Foundation (ASF) under one # or more contributor license agreements. See the NOTICE file # distributed with this work for additional information # regarding copyright ownership. The ASF licenses this file # to you under the Apache License, Version 2.0 (the # "License"); you may not u...
pwcberry/climate
examples/taylor_diagram_example.py
Python
apache-2.0
5,188
[ "NetCDF" ]
09c7ee19a6a6bfa87c26a5319be8a271d6c74200d4b16f5905e93bd90ef67ac1
#!/usr/bin/python # # See README.md for program description! import sys import os import tempfile import argparse import re import csv import inspect from pycparser import parse_file, c_parser, c_generator, c_ast lst = [] class Record(): """ A branch point in a program that will probably be annotated later....
PERSISTLab/BatterylessSim
firmware/ekhoshim.py
Python
bsd-3-clause
11,606
[ "VisIt" ]
dc754d412511d88a24f9c4bcb0bdbff94b8de23da0a62bf1fc0b4bff64f917d7
#!/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. """Makes sure files have the right permissions. Some developers have broken SCM configurations that flip the executable permission...
Workday/OpenFrame
tools/checkperms/checkperms.py
Python
bsd-3-clause
13,685
[ "Galaxy", "xTB" ]
b14f5a608ef673682422fdf196ee9841580806b1621e5e35e8229da1a0c5ef55
#!/usr/bin/env python3 """ Copyright 2020 Paul Willworth <ioscode@gmail.com> This file is part of Galaxy Harvester. Galaxy Harvester is free software: you can redistribute it and/or modify it under the terms of the GNU Affero General Public License as published by the Free Software Foundation, either version 3 ...
pwillworth/galaxyharvester
html/dbSession.py
Python
gpl-3.0
1,777
[ "Galaxy" ]
3ed068e3fc4a79136bf87a709a7c64443d5b27c1ae4ef58d8b30d8c85fe58b02
#!/usr/bin/env python # # Author: Qiming Sun <osirpt.sun@gmail.com> # from pyscf import gto, scf, mcscf ''' Approximate CASSCF orbital hessian with density fitting integrals ''' mol = gto.Mole() mol.build( atom = [ ["C", (-0.65830719, 0.61123287, -0.00800148)], ["C", ( 0.73685281, 0.61123287, -0.008001...
gkc1000/pyscf
examples/mcscf/17-approx_orbital_hessian.py
Python
apache-2.0
1,088
[ "PySCF" ]
8171510cf1252676e215717345f9a49ba6791180af75db5a0ed9040073b3bcd4