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from __future__ import print_function __author__ = """Alex "O." Holcombe, Charles Ludowici, """ ## double-quotes will be silently removed, single quotes will be left, eg, O'Connor import time, sys, platform, os from math import atan, atan2, pi, cos, sin, sqrt, ceil, radians, degrees import numpy as np import psychopy, ...
alexholcombe/dot-jump
dataRaw/Fixed Cue/test_dot-jump27Oct2016_10-15.py
Python
gpl-3.0
25,173
[ "Gaussian" ]
08e9e585a3b221bd8287d3ead2ffc766d38fd522765de063982461ce0f747311
""" Extended math utilities. """ # Authors: Gael Varoquaux # Alexandre Gramfort # Alexandre T. Passos # Olivier Grisel # Lars Buitinck # License: BSD 3 clause from functools import partial import warnings import numpy as np from scipy import linalg from scipy.sparse import issparse...
eickenberg/scikit-learn
sklearn/utils/extmath.py
Python
bsd-3-clause
18,804
[ "Gaussian" ]
aed55e25c4ca764d931e761937ab5f6e974314a96699d5ee0181a393c20b0208
from octopus.lib import clcsv class MasterSheet(object): HEADERS = { u'University' : "university", u'PMCID' : "pmcid", u'PMID' : "pmid", u'DOI' : "doi", u'Publisher' : "publisher", u'Journal title' : "journal_title", u'Article title' : "article_title", ...
CottageLabs/oacwellcome
service/sheets.py
Python
apache-2.0
3,996
[ "Octopus" ]
061ae76d301afcc96dd96a29cd24896742911f4d4ebde77cff8d5ca4faaf7165
import string from binascii import * import pefile from common import Modules, load_yara_rules, PEParseModule, ModuleMetadata from types import StringType class darkcomet(PEParseModule): def __init__(self): md = ModuleMetadata( module_name="darkcomet", bot_name="DarkComet", ...
bwall/bamfdetect
BAMF_Detect/modules/darkcomet.py
Python
mit
5,173
[ "Brian" ]
b6125ddab91de835b09d64c4bfcc77aa9bf6d414bc1e2263a8a90ec51c5a7bfa
# # Gramps - a GTK+/GNOME based genealogy program # # Copyright (C) 2004-2007 Donald N. Allingham # Copyright (C) 2010 Brian G. Matherly # Copyright (C) 2014 Paul Franklin # # This program is free software; you can redistribute it and/or modify # it under the terms of the GNU General Public License as publ...
dermoth/gramps
gramps/gen/display/name.py
Python
gpl-2.0
46,057
[ "Brian" ]
9a1b93ade9a8b3cef2e9af0cc44b7a5aeee81ceae8b63227e2c6bb753274d246
############################################################################## # MDTraj: A Python Library for Loading, Saving, and Manipulating # Molecular Dynamics Trajectories. # Copyright 2012-2013 Stanford University and the Authors # # Authors: Robert McGibbon # Contributors: # # MDTraj is free software: y...
marscher/mdtraj
MDTraj/formats/netcdf.py
Python
lgpl-2.1
20,769
[ "Amber", "MDTraj", "NetCDF" ]
1fd6a93c9d04f9cfd44b4bf4fbf228edf09a90a9747334b0b59c5d9269395c10
# -*- coding: utf-8 -*- # Copyright 2022 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 # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or...
googleapis/python-compute
tests/unit/gapic/compute_v1/test_addresses.py
Python
apache-2.0
90,612
[ "Octopus" ]
33a978edefa6998a6bf9751b99d0b336d2822ad4674ae1ccfca326a4cc32111f
from __main__ import vtk, qt, ctk, slicer # # Workflow # class Workflow: def __init__(self, parent): import string parent.title = "Bender Workflow" parent.categories = ["", "Segmentation.Bender"] parent.contributors = ["Julien Finet (Kitware), Johan Andruejol (Kitware)"] parent.helpText = string...
151706061/bender
Modules/Scripted/Scripts/Workflow.py
Python
apache-2.0
43,703
[ "VTK" ]
9437def75bda48e8409fab5a96863c2be1002c1bbac57c33be4a3ce8006b5cfe
# # Gramps - a GTK+/GNOME based genealogy program # # Copyright (C) 2000-2007 Donald N. Allingham # Copyright (C) 2002 Gary Shao # Copyright (C) 2007 Brian G. Matherly # Copyright (C) 2009 Benny Malengier # Copyright (C) 2009 Gary Burton # Copyright (C) 2017 Paul Franklin # # This program...
Nick-Hall/gramps
gramps/gen/plug/docgen/basedoc.py
Python
gpl-2.0
4,209
[ "Brian" ]
39c5d8c7128955e28c72c6113ea04f8e34b611286d4b92a6a05510199e12b47b
# coding: utf-8 from __future__ import print_function, division, unicode_literals, absolute_import executable = "optic" from abimkdocs.variables import ValueWithUnit, MultipleValue, Range #from abipy.abio.abivar_database.variables import ValueWithUnit, MultipleValue, Range, ValueWithConditions ValueWithConditions = d...
abinit/abinit
abimkdocs/variables_optic.py
Python
gpl-3.0
10,030
[ "ABINIT" ]
f56ca26a61e9f383cf6f631cbd424044e2f4dd93a6e963111b542f658e07e3df
# # LSST Data Management System # Copyright 2012-2016 LSST Corporation. # # This product includes software developed by the # LSST Project (http://www.lsst.org/). # # 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 So...
lsst/obs_decam
python/lsst/obs/decam/decamMapper.py
Python
gpl-3.0
16,121
[ "VisIt" ]
47b0dbec71d429586d7cecc0d236c537353784c2c015c4ee1efa3c53d286fa87
# -*- coding: utf-8 -*- # # mc_neuron.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, or #...
weidel-p/nest-simulator
pynest/examples/mc_neuron.py
Python
gpl-2.0
7,554
[ "NEURON" ]
deff1e2209e0d37bab36af99fb8d6937c3d25471ea8b6711631275e685c61475
"""On-line (live) plots of the DA process for various models and methods. Liveplotters are given by a list of tuples as property or arguments in `dapper.mods.HiddenMarkovModel`. - The first element of the tuple determines whether the liveplotter is shown if the names of liveplotters are not given by `liveplots` argum...
nansencenter/DAPPER
dapper/tools/liveplotting.py
Python
mit
47,673
[ "DIRAC" ]
cf57058a1d5eefeeb373086db88c35b1aecc92e7e341a15746f51cfd22d20619
# Copyright (C) 2016 Alex Nitz # # This program is free software; you can redistribute it and/or modify it # under the terms of the GNU General Public License as published by the # Free Software Foundation; either version 3 of the License, or (at your # option) any later version. # # This program is distributed in the ...
tdent/pycbc
pycbc/events/stat.py
Python
gpl-3.0
76,829
[ "Gaussian" ]
946a72a333c6db7c564c04d8194833dfde0029171c5835f8da30b4e869e3e07b
# Licensed under a 3-clause BSD style license - see LICENSE.rst from __future__ import (absolute_import, division, print_function, unicode_literals) import itertools import numpy as np from numpy.testing import assert_almost_equal, assert_allclose from ...tests.helper import pytest from ..con...
joergdietrich/astropy
astropy/convolution/tests/test_kernel_class.py
Python
bsd-3-clause
18,170
[ "Gaussian" ]
7166d0cbfe06d61d0715c85204666fca86d88495755f207c701289c1d1558112
############################################################################## # 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-anaquin/package.py
Python
lgpl-2.1
2,253
[ "Bioconductor" ]
5cbdd485947f2a59cece148e19b4e20f14307b426649413c0322e02414d8a5fd
# Orca # # Copyright 2010 Consorcio Fernando de los Rios. # Author: Javier Hernandez Antunez <jhernandez@emergya.es> # Author: Alejandro Leiva <aleiva@emergya.es> # # 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 ...
Alberto-Beralix/Beralix
i386-squashfs-root/usr/share/pyshared/orca/orca_gui_profile.py
Python
gpl-3.0
5,150
[ "ORCA" ]
a8e37c37d33d66cf37b4ee8fc67f0ffc3aead30dcbcc68894a7f0081ea036037
#!/usr/bin/python # -*- coding: UTF-8 -*- # # Copyright 2014 Google Inc. 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....
pathumego/nototools
nototools/extra_locale_data.py
Python
apache-2.0
17,920
[ "MOE", "MOOSE" ]
012924add0a27ac59bbd175ab136c66bfb8c2d437a209f0d95dca98fe31d0153
import numpy as np from gpaw.utilities.memory import maxrss, _VmB from gpaw.test import equal verbose = True dtype = np.int32 def allocate_matrix(maxmem, msize, dtype): # square matrix in memory (in bytes): byte/bit * bit/int32 * size mmemory = (1./8 * 32 * msize**2) mno = int(max(1, maxmem * 2**20/mme...
robwarm/gpaw-symm
gpaw/test/maxrss.py
Python
gpl-3.0
1,607
[ "GPAW" ]
e1afc23b652f20b6860462bbcd15674ac38f76eddc024dc24de076f2e345d858
############################################################################### ## ## Copyright 2011-2013 Tavendo GmbH ## ## 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:...
ecohealthalliance/tangelo
tangelo/tangelo/autobahn/websocket.py
Python
apache-2.0
146,390
[ "VisIt" ]
88a01b3a9211f2ed3c1503df37f7b1a3c89240912a08046e711db458562e9bc1
#!/usr/bin/env python # -*- coding: utf-8 -*- # # Copyright (C) 2011 Radim Rehurek <radimrehurek@seznam.cz> # Licensed under the GNU LGPL v2.1 - http://www.gnu.org/licenses/lgpl.html """Scikit-learn interface for :class:`~gensim.models.tfidfmodel.TfidfModel`. Follows scikit-learn API conventions to facilitate using g...
midnightradio/gensim
gensim/sklearn_api/tfidf.py
Python
gpl-3.0
6,995
[ "VisIt" ]
5d5e039168977617fe2e2dfb4740d1e3db381a76993cd86b80bb2f1c37b00d64
# This file is part of ocean2pism. # ocean2pism 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. # ocean2pism is distributed in the ho...
matthiasmengel/ocean2pism
DiffuseOcean.py
Python
gpl-3.0
9,469
[ "NetCDF" ]
d3bc22a7f8d72af9e2deabbc63b22a823ad6178a5a6e56921bfcc0f385f4363a
#============================================= # Test cases for module #============================================= if __name__ == '__main__': # Test case for the code. Calculate few well-known crystals import sys import numpy from math import pow from matplotlib.pyplot import plot, show,...
jochym/Elastic
tests/test_elastic.py
Python
gpl-3.0
6,441
[ "ASE", "CRYSTAL", "VASP" ]
504d33aa733e76efdf48fb35011eeb0ae1b1cee1339dee56bdab42d7fa4ec2ec
#!/usr/bin/env python ################################################## ## DEPENDENCIES import sys import os import os.path try: import builtins as builtin except ImportError: import __builtin__ as builtin from os.path import getmtime, exists import time import types from Cheetah.Version import MinCompatib...
MOA-2011/e2openplugin-OpenWebif
plugin/controllers/views/web/servicelistreload.py
Python
gpl-2.0
5,251
[ "VisIt" ]
00a71a9e37ee332a03e20d792d15ad1f5056a0b7ee9a7d25328eb213e361497e
#!/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_psifiles.py
Python
lgpl-3.0
3,196
[ "Psi4" ]
91318ce06b2a9d337623ebecf25d03d195ae9b858c0c288899fc989feae63669
''' Set up Visual Sudio to build a specified MPIR configuration Copyright (C) 2011, 2012, 2013, 2014 Brian Gladman ''' from __future__ import print_function from operator import itemgetter from os import listdir, walk, unlink, makedirs from os.path import split, splitext, isdir, relpath, join, exists from os.path imp...
omco/mpir
build.vc12/mpir_config.py
Python
lgpl-3.0
31,121
[ "Brian" ]
7cc710d8d89a57b18d28ea2b3f43874f79f2612dc639e4f8481070852fd7718f
# # Gramps - a GTK+/GNOME based genealogy program # # Copyright (C) 2007-2008 Brian G. Matherly # # Adapted from GraphViz.py (now deprecated) # Copyright (C) 2000-2007 Donald N. Allingham # Copyright (C) 2005-2006 Eero Tamminen # Copyright (C) 2007 Johan Gonqvist <johan.gronqvist@gmail.com> # Contr...
Forage/Gramps
gramps/plugins/graph/gvrelgraph.py
Python
gpl-2.0
27,200
[ "Brian" ]
66f44f5b7d77aca3766595026241fcc45f52a19cf83c77372d1e3f75e76514ee
# Copyright (c) 2019, NVIDIA CORPORATION. All rights reserved. # # This work is licensed under the Creative Commons Attribution-NonCommercial # 4.0 International License. To view a copy of this license, visit # http://creativecommons.org/licenses/by-nc/4.0/ or send a letter to # Creative Commons, PO Box 1866, Mountain ...
microsoft/DiscoFaceGAN
metrics/perceptual_path_length.py
Python
mit
5,225
[ "VisIt" ]
64a748264b38fdee4304a3d692fe6b52077a738e4a8a3183fffa272e840708a2
from builtins import range import numpy as np def affine_forward(x, w, b): """ Computes the forward pass for an affine (fully-connected) layer. The input x has shape (N, d_1, ..., d_k) and contains a minibatch of N examples, where each example x[i] has shape (d_1, ..., d_k). We will res...
UltronAI/Deep-Learning
CS231n/assignment2/cs231n/layers.py
Python
mit
29,675
[ "NEURON" ]
bc97cab78799b47f9c1d67c889d0d3351ab869c44e45a849432868c59a75be53
# class generated by DeVIDE::createDeVIDEModuleFromVTKObject from module_kits.vtk_kit.mixins import SimpleVTKClassModuleBase import vtk class vtkDataObjectWriter(SimpleVTKClassModuleBase): def __init__(self, module_manager): SimpleVTKClassModuleBase.__init__( self, module_manager, v...
nagyistoce/devide
modules/vtk_basic/vtkDataObjectWriter.py
Python
bsd-3-clause
492
[ "VTK" ]
04308e37b1bc4ceec90b3c16f81ace2b5ff184f969abe6fbaf274926d6cccb11
#!/usr/bin/env python # # Copyright (c) 2000 Autonomous Zone Industries # This file is licensed under the # GNU Lesser General Public License v2.1. # See the file COPYING or visit http://www.gnu.org/ for details. # ### standard modules import types ### our modules true = 1 false = 0 from MojoErrors import Bad...
zooko/egtp
common/DataTypes.py
Python
agpl-3.0
16,644
[ "VisIt" ]
c66ac41e55a1390d882f4fbd9a3dc6eedb5fcea6f7831ccf1bffbd92b891f261
# # Copyright (C) 2001 greg Landrum # """ unit testing code for compound descriptors """ from __future__ import print_function import unittest import Parser from rdkit.six.moves import xrange class TestCase(unittest.TestCase): def setUp(self): print('\n%s: ' % self.shortDescription(), end='') self.piec...
jandom/rdkit
rdkit/ML/Descriptors/UnitTestParser.py
Python
bsd-3-clause
1,956
[ "RDKit" ]
c938a20a1ad25b8e2a87a9c0b93c0007a08f5bc900b92e85cc145ba25366696c
from abc import ABC, abstractmethod from collections.abc import Iterable from numbers import Real from xml.etree import ElementTree as ET import numpy as np import openmc.checkvalue as cv from .._xml import get_text from ..mixin import EqualityMixin _INTERPOLATION_SCHEMES = [ 'histogram', 'linear-linear', ...
walshjon/openmc
openmc/stats/univariate.py
Python
mit
25,080
[ "Gaussian" ]
68a9f4ed8809c7a1d1a3e5b2df3052f99c0e5923d59da1050034864d24d851f7
#!/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/nemesis/nemesis.py
Python
lgpl-2.1
926
[ "MOOSE", "VTK" ]
025a98794e29201ce21949de1793f385df35acd1ad547259b068493c57179851
"""Function-like object creating monoclinic lattices. The following lattice creator is defined: SimpleMonoclinic BaseCenteredMonoclinic """ from ase.lattice.triclinic import TriclinicFactory import numpy as np from ase.data import reference_states as _refstate class SimpleMonoclinicFactory(TriclinicFactory)...
grhawk/ASE
tools/ase/lattice/monoclinic.py
Python
gpl-2.0
1,678
[ "ASE", "CRYSTAL" ]
252024845c66218229e23fe0984c6e9d383df460ff27f640ec0f50b09a166d94
from paraview import servermanager from time import time import timeit import pickle filename = "test.bench" file = open(filename, 'w') if not servermanager.ActiveConnection: connection = servermanager.Connect() coneSource = servermanager.sources.ConeSource() shrinkFilter = servermanager.filters.ShrinkFilter(Input=c...
TACC/GLuRay
Benchmarks/glurayBench1.py
Python
gpl-2.0
721
[ "ParaView" ]
4225ab824d40ee1e34c885796cb02ab8d101b8cad325bd2d883b1531ea486d95
import pytest import random from collections import deque from rig.geometry import concentric_hexagons from rig.place_and_route.machine import Machine from rig.links import Links from rig.place_and_route.routing_tree import RoutingTree from rig.routing_table import Routes from rig.place_and_route.route.utils im...
project-rig/rig
tests/place_and_route/route/test_ner.py
Python
gpl-2.0
22,680
[ "VisIt" ]
a3ce0a37ed95e1c2969ba6a64437a40f912236605cc68edc43211145ad47727a
#!/usr/bin/env python # -*- coding: utf-8 -*- """ Moogli Visualizer. """ # http://stackoverflow.com/questions/28104362/how-to-rotate-camera-in-openscenegraphwalk-through-in-model from PyQt4 import QtGui from PyQt4 import QtCore from PyQt4 import Qt from PyQt4.QtGui import QPushButton from PyQt4.QtGui import QWidget f...
dilawar/moose-full
moose-examples/util/moogli_viewer.py
Python
gpl-2.0
11,854
[ "MOOSE", "NEURON" ]
0bcda16cc0061a22f4ceaec0561b29ec4482629daecf3018e99f99f46829aab9
from traceHandler import * from modelHandler import * from optimizerHandler import * from string import replace from optionHandler import optionHandler from string import find,count from scipy.interpolate import interp1d from scipy import linspace import time def meanstdv(x): from math import sqrt n, mean, st...
vellamike/optimizer
optimizer/Core.py
Python
lgpl-2.1
27,534
[ "NEURON" ]
ace0a6cd2886a64c4d6051ca2c7362e3bfa1266b60ca276332601049fb5417b3
############################################################################### ## ## Copyright (C) 2006-2011, University of Utah. ## All rights reserved. ## Contact: contact@vistrails.org ## ## This file is part of VisTrails. ## ## "Redistribution and use in source and binary forms, with or without ## modification, ...
CMUSV-VisTrails/WorkflowRecommendation
vistrails/packages/vtk/vtkhandler.py
Python
bsd-3-clause
8,683
[ "VTK" ]
22b248f3915a4abba69a8ba10b3a5b8629d524774713c822899e2d2b7c7b4d0f
## Automatically adapted for numpy.oldnumeric Mar 26, 2007 by alter_code1.py ## ## Biskit, a toolkit for the manipulation of macromolecular structures ## Copyright (C) 2004-2012 Raik Gruenberg & Johan Leckner ## ## This program is free software; you can redistribute it and/or ## modify it under the terms of the GNU Ge...
ostrokach/biskit
Biskit/AmberParmBuilder.py
Python
gpl-3.0
23,741
[ "Amber" ]
b15c8f15666ab29d5f59e6b3150deaa890958d4cb01d15bc2848b6f87da6a478
#Copyright 2015 Daniel Gusenleitner, Stefano Monti #Licensed under the Apache License, Version 2.0 (the "License"); #you may not use this file except in compliance with the License. #You may obtain a copy of the License at # http://www.apache.org/licenses/LICENSE-2.0 #Unless required by applicable law or agreed t...
montilab/Hydra
hydra_pkg/module_helper.py
Python
apache-2.0
13,618
[ "Bioconductor", "HTSeq" ]
8e69cf1ebcf464d1fdd32d28ffed1939e7dfc7fecab5e6c6879cafde003148ce
import numpy as np import random as rand import sys, os import copy import pickle from mpi4py import MPI from pymatgen import Lattice, Structure, Element from pymatgen.io.vasp import Poscar, VaspInput from pymatgen.analysis.structure_matcher import StructureMatcher, FrameworkComparator from pymatgen.apps.borg.hive imp...
skasamatsu/py_mc
examples/HAp-bulk/HAp_energylist.py
Python
gpl-3.0
3,940
[ "VASP", "pymatgen" ]
b468a4527d9cd6e69ed3cc50a03c41d5192a12dc1db79b1f56635eca500c5899
#!/usr/bin/env python # pylint: disable=C0303,W0612,C0303,C0111,C0301 """ Tests for new ErMagicBuilder """ from builtins import str import unittest import os from pmagpy import pmag from pmagpy import builder2 as builder from pmagpy import validate_upload2 as validate_upload # set constants WD = pmag.get_test_WD() ...
Caoimhinmg/PmagPy
pmagpy_tests/test_builder.py
Python
bsd-3-clause
75,288
[ "Gaussian" ]
197fde8684454b6608b570f5f39375a039f3cc1235e9ebb9fe1d9359e458e118
"""Class definitions for rts2pa""" # (C) 2004-2012, Markus Wildi, wildi.markus@bluewin.ch # # # 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, or (at your option) # ...
RTS2/rts2
scripts/rts2pa/rts2pa.py
Python
lgpl-3.0
7,960
[ "VisIt" ]
4aa8d0b20f9faf58d8539d32db9fdec8430af2385ac8e318c13612c99d00cf29
#!/usr/bin/python import random import sys if len(sys.argv) != 4: print "Usage: generate.py <rows> <dimensions> <centers>" sys.exit(1) numRow = int(sys.argv[1]) numDim = int(sys.argv[2]) numCenter = int(sys.argv[3]) random.seed(0) if 0: # uniform random rows = [] for row in range(1, numRo...
nmldiegues/tuner-icac14
tuner-selective/kmeans/inputs/generate.py
Python
apache-2.0
912
[ "Gaussian" ]
110b7f0fcca14cedba1e669b6354327f8741565205f05b459d0d6fc16facf8f9
# -*- coding: utf-8 -*- """ SUNTANS particle tracking Created on Wed Apr 17 09:54:48 2013 @author: mrayson """ from sunpy import Spatial, Grid import othertime #from trisearch import TriSearch from gridsearch import GridSearch from datetime import datetime,timedelta from scipy import spatial, sparse import numpy a...
UT-CWE/Hyospy
Hyospy_ensemble/lib/SUNTANS/SUNTANS/suntrack.py
Python
mit
49,700
[ "Mayavi", "NetCDF", "VTK" ]
abfb0afcc06a9ac85280fe141f0d04ac875e6f5d95cc794057fce6d93f002ad7
# Copyright (C) 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 versio...
KaiSzuttor/espresso
testsuite/python/rotational-diffusion-aniso.py
Python
gpl-3.0
16,657
[ "ESPResSo" ]
e184411143584a530de9168940b8f879c8f809babb0b1077289afe209222d18c
#pylint: disable=missing-docstring ################################################################# # DO NOT MODIFY THIS HEADER # # MOOSE - Multiphysics Object Oriented Simulation Environment # # # # (c) 2010...
liuwenf/moose
python/chigger/exodus/__init__.py
Python
lgpl-2.1
1,323
[ "MOOSE" ]
cbbd5447609d76a95ae0f165f0438dcbe945003c776e61aa0dfdd94b0d5b402a
from __future__ import absolute_import from django.db import connection from django.template import RequestContext, loader from django.utils.html import mark_safe from django.shortcuts import render_to_response from django.core import urlresolvers from django.http import HttpResponseNotFound from zerver.decorator impo...
atomic-labs/zulip
analytics/views.py
Python
apache-2.0
25,603
[ "VisIt" ]
99edecea0fcc56e2e783892d30e1ab75fc6721ba65fb2ddb9460d9ddd08ad268
# Copyright (C) 2011-2013 2ndQuadrant Italia (Devise.IT S.r.L.) # # This file is part of Barman. # # Barman 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...
klhochhalter/barman
barman/cli.py
Python
gpl-3.0
16,011
[ "ESPResSo" ]
f136c169feaead25b823c5b22094c5fbe752791a7a4da5e7290cac6af8178c55
#!/usr/bin/python3 # Copyright (C) 2013-2016 Florian Festi # # 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. # #...
florianfesti/boxes
boxes/generators/rotary.py
Python
gpl-3.0
13,569
[ "FEFF" ]
1b45c48164b5d73adcfca10a435a320b988cd7cd63f84dc5ddbe273c01ef7755
#! /usr/bin/env python # -*- coding: utf-8 -*- """An iterator for GCoder objects that accepts a GCodeVisitor """ import logging __author__ = "wireddown" LOGGER_NAME = "iterator" PRINTED_LAYER_KIND = "PRINTED" PARSED_LAYER_KIND = "parsed" class GCodeIteratorInformation(object): """This class is a simple POD tha...
zeograd/gcodeutils
gcodeutils/visit/iterator.py
Python
gpl-2.0
3,178
[ "VisIt" ]
3421a6f6d1c27cd2b82cec046f5e55857d95a31dfed29364089a323652e89a66
# -*- coding: utf-8 -*- # # This file is part of DoMapping. # Copyright (C) 2015, 2016 CERN. # # DoMapping 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)...
inveniosoftware/es-jsonschema
domapping/mapping.py
Python
gpl-2.0
15,216
[ "VisIt" ]
f1508e160ab21a321b6c5a0397db4bfa85f3f68584dbf78acf9280fb1a6410c3
""" pylint-server ---- A small Flask application to keep keep track of pylint reports and ratings on a per-repository basis. """ from setuptools import setup setup( name='pylint-server', version='0.1', url='https://github.com/drivet/pylint-server/', license='MIT', author='Desmond Rivet', auth...
drivet/pylint-server
setup.py
Python
mit
1,072
[ "Desmond" ]
525812c7338b81b20eecf9ed3798cfb52fd2295b0b762d088f831057f24691c6
# # @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/libmintspointgrp.py
Python
gpl-2.0
58,396
[ "Psi4" ]
c02349403a4a200e6bb723c5efc276b164e850f306c5a8541a06d6517412fc63
"""Loading and plotting data from CSV logs. Schematic example of usage - load all `log.csv` files that can be found by recursing a root directory: `dfs = load_logs($BABYAI_STORAGE)` - concatenate them in the master dataframe `df = pandas.concat(dfs, sort=True)` - plot average performance for groups of runs using ...
mila-iqia/babyai
babyai/plotting.py
Python
bsd-3-clause
13,893
[ "Gaussian" ]
aaa45e42c0f83c914cd7d68a047aaed5fc02c6eeb809639b2ebdc121eb4df0d0
#!/usr/bin/python2.4 import Scientific.IO.NetCDF as nc import numpy as np import sys if len(sys.argv) != 2 or '-h' in sys.argv or '--help' in sys.argv: print "\nUsage:\tcompare.py <file.nc>\n" print "Author:\tHannu Parviainen" print "\thannu.p.parviainen@helsinki.fi\n" sys.exit(1) file...
dronir/EM
test/xrfip/compare.py
Python
gpl-3.0
1,027
[ "NetCDF" ]
55060569ff52a75b54d124ab4c7e0e024fd8716397e8331a9d1e13f395c72387
# 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_sv_diag.py
Python
apache-2.0
975
[ "PySCF" ]
599da83ca988d42f54b4d66c589d1c8d0f7164db4a58d724f8e8fd8cd705d4c4
# Copyright 2016 The TensorFlow Authors. All Rights Reserved. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applica...
meteorcloudy/tensorflow
tensorflow/contrib/autograph/pyct/static_analysis/cfg.py
Python
apache-2.0
15,711
[ "VisIt" ]
4f5d597d9753c1741259ed90fc30432e139de52e88bbcf6c8b82178f51e5e2d8
from __future__ import print_function import os import numpy as np try: import vtk from vtk.util.numpy_support import vtk_to_numpy except BaseException: pass def calculate_vtk_max_pointwise_difference(file1, file2, tol=1e-6): arrays = [0] * 2 reader = vtk.vtkStructuredPointsReader() for i, fn...
KonradBreitsprecher/espresso
testsuite/tests_common.py
Python
gpl-3.0
16,337
[ "Gaussian", "VTK" ]
7538074f06c2a1cfba2252f02de27466b71d812349abf7c9bcb76f6bb4407671
# Copyright (C) 2007-12 Andrea Vedaldi and Brian Fulkerson. # All rights reserved. # # This file is part of the VLFeat library and is made available under # the terms of the BSD license (see the COPYING file). import numpy as np from cyvlfeat.misc.cykdtreebuild import cy_kdtreebuild from cyvlfeat.test_util import len...
simmimourya1/cyvlfeat
cyvlfeat/misc/kdtreebuild.py
Python
bsd-2-clause
2,028
[ "Brian" ]
e24b7dbc396a066ac936d5f09c86a1b7a060e1135415c3335a2dc70b73f9010e
""" build_SIM_with_deposits.py Create an augmented version of the SIM model (Godley & Lavoie Chapter 3), but with deposits added. Since we do not have a central bank sector, this falls short of the model PC specifcation (Chapetr 4). Copyright 2016 Brian Romanchuk Licensed under the Apache License, Version 2.0 (the ...
brianr747/SFC_models
sfc_models/examples/scripts/ex20161206_SIM_with_deposits.py
Python
apache-2.0
3,226
[ "Brian" ]
8ceb36b903e32b2071f525ccca0d60aa92cb4601bae7b38fadddd200971be19f
# Copyright 2017 Max Planck Society # Distributed under the BSD-3 Software license, # (See accompanying file ./LICENSE.txt or copy at # https://opensource.org/licenses/BSD-3-Clause) """Training AdaGAN on various datasets. Refer to the arXiv paper 'AdaGAN: Boosting Generative Models' Coded by Ilya Tolstikhin, Carl-Joha...
tolstikhin/adagan
celeba_pot.py
Python
bsd-3-clause
8,109
[ "Gaussian" ]
ca0cc13ac9659a17284f30e5417ed92f691abc37824d357966c531ec19ea287e
""" Generate samples of synthetic data sets. """ # Authors: B. Thirion, G. Varoquaux, A. Gramfort, V. Michel, O. Grisel, # G. Louppe # License: BSD 3 clause from itertools import product import numbers import numpy as np from scipy import linalg from ..utils import array2d, check_random_state from ..utils i...
mrshu/scikit-learn
sklearn/datasets/samples_generator.py
Python
bsd-3-clause
40,741
[ "Gaussian" ]
742a8f92331d5ad17136cae0c2eef77e628dbe6146b2436233fc576cbc2e517f
""" Don't drop points with invalid coordinates - there's currently no keyword arg for this """ from cis.data_io.products import cis import logging class cis_no_postproc(cis): def create_data_object(self, filenames, variable): data = self.create_coords(filenames, variable) # This is pretty hacky b...
duncanwp/cis_plugins
cis_no_postproc.py
Python
lgpl-3.0
2,180
[ "NetCDF" ]
666c8f5e712e64afdd4f64d3e3ab723eacc8df6bd1ab4c64d5939db9d944876b
""" Do the initial configuration of a DIRAC component """ __RCSID__ = "$Id$" from DIRAC import gConfig from DIRAC import exit as DIRACexit from DIRAC.ConfigurationSystem.Client.Helpers import getCSExtensions from DIRAC.FrameworkSystem.Client.ComponentInstaller import gComponentInstaller gComponentInstaller.exitOnErr...
andresailer/DIRAC
tests/Jenkins/dirac-cfg-add-option.py
Python
gpl-3.0
1,425
[ "DIRAC" ]
c3909cb2a7da3ca1df6e9f0d06ed1885299b8bc43460c67c7d827e4af1597cf5
""" Add link from history_dataset_association to the extended_metadata table """ from sqlalchemy import * from sqlalchemy.orm import * from migrate import * from migrate.changeset import * from galaxy.model.custom_types import JSONType import logging log = logging.getLogger( __name__ ) metadata = MetaData() extende...
mikel-egana-aranguren/SADI-Galaxy-Docker
galaxy-dist/lib/galaxy/model/migrate/versions/0118_add_hda_extended_metadata.py
Python
gpl-3.0
1,567
[ "Galaxy" ]
e32dd85a3cccc947e27e7b988f4de3db5fde627b0a645051069930761d77ad9d
#!/usr/bin/python ######################################################################## # 9 Jan 2015 # Patrick Lombard, Centre for Stem Stem Research # Core Bioinformatics Group # University of Cambridge # All right reserved. ######################################################################## import argparse ...
pdl30/pyngspipe
pyngspipe/pipeline.py
Python
gpl-2.0
8,122
[ "HTSeq" ]
e60e228468c9a7ed042cac23c354943e13c3acdeb961af72a56c81619d651556
#!/usr/bin/env python __author__ = 'Mike McCann' __copyright__ = '2013' __license__ = 'GPL v3' __contact__ = 'mccann at mbari.org' __doc__ = ''' Master loader for all October 2014 SIMZ activities. John Ryan MBARI 12 March 2014 @var __date__: Date of last svn commit @undocumented: __doc__ parser @status: pr...
josephmfaulkner/stoqs
stoqs/loaders/MolecularEcology/loadSIMZ_spring2014.py
Python
gpl-3.0
5,645
[ "NetCDF" ]
eedb145f4d3b77d224c404755186839a9b7ce177a42f6af9360a1e0c9dd7341a
from sympy import * from mpmath import * from util import * from emulation import * def fit(n, q, f_D, D, h, start): def f(x): x = Matrix(map(lambda y: exp(mpf(y)/2.), x)) a = A(D, x) a_inv = a**-1 return -log(pi_star_tau(n, q, f_D, a_inv, a, H(D, h))) tau = minimize(f, start, ...
greenape/gem-module
gaussianemulation/emulator.py
Python
mpl-2.0
2,200
[ "Gaussian" ]
31c1b19f57ec6be85569069976a12146a4106ae5baf542bfde7acea1aba79346
#import numpy import POVME.packages.pymolecule.pymolecule as pymolecule import POVME.packages.binana.peel as peel import sys #print sys.modules my_params = peel.defaultParams #DEFAULT #arg = pymolecule.FileIO.load_pdb_into( 'arg.pdb', bonds_by_distance=True, serial_reindex = True, resseq_reindex=False) arg = pymol...
POVME/POVME
POVME/packages/binana/tests/peel_arg_basic/argTest.py
Python
mit
1,318
[ "VMD" ]
944bb0d1846df21b4dac4f0c83ce0742e7fc2e51dbb26dd5f9f524dd4289a5eb
from ship import Ship ############################################################################## ############################################################################## class Liner(Ship): ########################################################################## def __init__(self, startplanet, gala...
dwagon/Exodus
liner.py
Python
gpl-3.0
2,194
[ "Galaxy" ]
1dd7e44f9c57750b00b48c8cb962f1be9673b762a4ba4c06652ebf1a7834bcb8
import pandas as pd from sklearn.ensemble import RandomForestClassifier from sklearn.ensemble import GradientBoostingClassifier from sklearn.ensemble import BaggingClassifier from sklearn.ensemble import AdaBoostClassifier from sklearn.ensemble import ExtraTreesClassifier from sklearn.neural_network import MLPClassifie...
rupakc/Kaggle-Compendium
Predicting Red Hat Business Value/redhat-baseline.py
Python
mit
3,644
[ "Gaussian" ]
03df9e77ac5a6839f50c49cb9bbd538f85e53a032d5fa25dcaa39cd1fe82fe79
#!/usr/bin/python2.7 # encoding: utf-8 from __future__ import division import numpy as np import pandas as pd import cPickle as pkl #import netCDF4 as nc #Quick fix import scipy.io.netcdf as nc from scipy.io import savemat from scipy.io import loadmat from datetime import datetime, timedelta import cPickle as pickle...
pwcazenave/PySeidon
pyseidon/validationClass/validationClass.py
Python
agpl-3.0
18,652
[ "NetCDF" ]
3e117d7cd6599fa7876ce6c3385d4c6a0707b36458354581453bfa5993b7b068
import RenascenceBasic class Content: def __init__(self, nativeContent=None, producer=None): self.producer = producer if None == nativeContent: self.nativeContent = RenascenceBasic.GP_Contents_CreateCollector() elif isinstance(nativeContent, int) or isinstance(nativeContent, floa...
jxt1234/Genetic-Program-Frame
python-renascence/module/Renascence.py
Python
apache-2.0
12,562
[ "ADF" ]
de817413f729fa0ca4ddcd46b7a362216749f0c3a710777db750970cb65facc5
""" aspheric_fit tests for rough surface generation & analysis inputs: P output: some plots Functions translated from: http://www.mysimlabs.com/surface_generation.html MODIFICATION HISTORY: 20150910 srio@esrf.eu, written """ __author__ = "Manuel Sanchez del Rio" __contact...
srio/dabam
code/correlated_profiles.py
Python
gpl-2.0
6,197
[ "Gaussian" ]
b52e9d324d2598ca42ac713b81cb9451fc8bb7aa318b0e5aa63c08cac99263a3
#!/usr/bin/env python3 from distutils.core import setup setup(name='Extracthosts', version='2.0.0', description='Extracts IPs and domain names from files', author='Brian Wallace', author_email='bwall@ballastsecurity.net', url='https://github.com/bwall/ExtractHosts', packages=['Extr...
bwall/ExtractHosts
setup.py
Python
mit
360
[ "Brian" ]
531b4d095f41406a2b57fda04a02164071021db856b77f783d0d8b8eb23a0809
import os from pypdflite.pdflite import PDFLite from pypdflite.pdfobjects.pdfcolor import PDFColor def HtmlTest(test_dir): writer = PDFLite(os.path.join(test_dir, "tests/HTMLtest.pdf")) document = writer.get_document() document.add_text('Sample text') document.add_newline(2) red = PDFColor(name...
katerina7479/pypdflite
bin/htmltest.py
Python
mit
2,915
[ "VisIt" ]
658d52744049ae193ce2ef727cb0124d521dbc565075405638d0c29d87e65e6d
from __future__ import print_function from owmeta_core.dataobject import DatatypeProperty, ObjectProperty, This from .channel import Channel from .biology import BiologyType from .cell_common import CELL_RDF_TYPE class Cell(BiologyType): """ A biological cell. All cells with the same `name` are conside...
openworm/PyOpenWorm
owmeta/cell.py
Python
mit
2,514
[ "BLAST" ]
d0011fb12aed3b029bf8c51a38d2bee21cd8d3f638a103582b4db2b66eb5fe07
# Copyright (C) 2016 Henrique Pereira Coutada Miranda # All rights reserved. # # This file is part of yambopy # # import subprocess import json from abc import ABCMeta, abstractmethod from textwrap import dedent from copy import deepcopy import os class Scheduler(): """ Generic scheduler class Initialize...
palful/yambopy
schedulerpy/scheduler.py
Python
bsd-3-clause
9,273
[ "ABINIT" ]
4dfac80c22402eb23e5411f5844daf21a38c9dc7709fb5e0720910f7fb5b3fe9
# Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. import os import shutil import unittest import numpy as np from pymatgen.core.structure import Structure from pymatgen.io.cif import CifParser from pymatgen.io.feff.inputs import Atoms, Header, Potential, Tags from pymatgen...
materialsproject/pymatgen
pymatgen/io/feff/tests/test_sets.py
Python
mit
11,086
[ "FEFF", "pymatgen" ]
09393c9edd888fdae89e15c08077537d615b2b103dce17510be07311d4aa2918
############################################################################### # Copyright 2006 to the present, Orbitz Worldwide, 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...
OrbitzWorldwide/droned
droned/droneclient.py
Python
apache-2.0
5,757
[ "BLAST" ]
b9e218a7eab4587bbc472224ab28fd24d430cb46ec4f9c0cb3c44379d285e6c2
#/usr/bin/env python # Global python import import exceptions, logging, random, sys, threading, time, os # Update python path to have ParaView libs build_path='/Volumes/SebKitSSD/Kitware/code/ParaView/build-ninja' sys.path.append('%s/lib'%build_path) sys.path.append('%s/lib/site-packages'%build_path) # iPython impor...
HopeFOAM/HopeFOAM
ThirdParty-0.1/ParaView-5.0.1/Applications/ParaView/Testing/Python/TestPythonMPI.py
Python
gpl-3.0
1,816
[ "ParaView", "VTK" ]
729f85141710b71c1d111244a2c50ab2ac021dc3d065771824e77566e161d683
# Copyright (c) 2014-present PlatformIO <contact@platformio.org> # # 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 appli...
platformio/platformio
platformio/project/config.py
Python
apache-2.0
16,512
[ "VisIt" ]
7a491c5d13bd3435a9296a1c6563715cc92212969e4f1dce032b12644899a296
# test_reader.py --- # # Filename: test_reader.py # Description: # Author: # Maintainer: # Created: Wed Jul 24 16:02:21 2013 (+0530) # Version: # Last-Updated: Sun Apr 17 16:13:01 2016 (-0400) # By: subha # Update #: 112 # URL: # Keywords: # Compatibility: # # # Commentary: # # # # # Cha...
subhacom/moose-core
python/moose/neuroml2/test_reader.py
Python
gpl-3.0
5,210
[ "MCell", "MOOSE", "NEURON" ]
b8fd88207f6024478797be04dfdb5c450ae7b849b8ed31f0eb0de719ad5686e4
# Copyright 2016 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. """Generates reports base on bisect result data.""" import copy _CONFIDENCE_THRESHOLD = 99.5 _BISECT_REPORT_TEMPLATE = """ ===== BISECT JOB RESULTS ===== ...
SummerLW/Perf-Insight-Report
dashboard/dashboard/bisect_report.py
Python
bsd-3-clause
3,611
[ "VisIt" ]
ba1968f082d4fac513df0bc33115113a9b9b8d64d29642d3e678a5f05c5159f1
# Copyright (c) 2012 OpenStack Foundation # All Rights Reserved. # # Licensed under the Apache License, Version 2.0 (the "License"); you may # not use this file except in compliance with the License. You may obtain # a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless ...
badock/nova
nova/tests/compute/test_resource_tracker.py
Python
apache-2.0
61,240
[ "exciting" ]
0a40b51b1788c0e9ec831afa508884e790a1ca0a6538378927fd758538980e1f
"""Skeleton for 'os.path' stdlib module.""" import sys import os def abspath(path): """Return a normalized absolutized version of the pathname path. :type path: bytes | unicode | os.PathLike :rtype: bytes | unicode """ return path def basename(path): """Return the base name of pathname pa...
asedunov/intellij-community
python/helpers/python-skeletons/os/path.py
Python
apache-2.0
6,242
[ "VisIt" ]
b9d2cec585d8b0198ef67f187ea2e82e9151ba0e2d9af7c2b02571c2464bbe97
'''Visitors that perform data analysis on signals .. currentmodule:: grid_cell_model.visitors.signals These could be membrane potentials, voltage clamp data, synaptic currents, etc. Classes ------- .. inheritance-diagram:: grid_cell_model.visitors.signals :parts: 2 .. autosummary:: AutoCorrelationVisitor ...
MattNolanLab/ei-attractor
grid_cell_model/visitors/signals.py
Python
gpl-3.0
11,625
[ "NEURON", "VisIt" ]
9d2c4a78bf0ae3d5da966591e38ae1834b5e8a67389741129183e6ed65bac4d4
# # Coded by Vali, updated by Mirakels for openpli # from enigma import iServiceInformation, eServiceCenter, iPlayableService, iPlayableServicePtr from Components.Converter.Converter import Converter from Components.Element import cached from Components.config import config from Tools.Transponder import ConvertToHuma...
devclone/enigma2-9f38fd6
lib/python/Components/Converter/pliExpertInfo.py
Python
gpl-2.0
13,802
[ "Galaxy" ]
71b69ef06da180dbaaf526c52ba1e74d03adaec179c93a1d5606464524e01ad5
# # Copyright 2016 Universidad Complutense de Madrid # # This file is part of Megara DRP # # Megara DRP 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) an...
Pica4x6/megaradrp
megaradrp/simulation/instrument.py
Python
gpl-3.0
12,342
[ "Gaussian" ]
588381fb1d800a5131fc252d11ed333d267ad16790bcfbb74eb1cbdb454421e4
# -*- coding: utf-8 -*- # Copyright 2022 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 # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or...
googleapis/python-apigee-connect
tests/unit/gapic/apigeeconnect_v1/test_tether.py
Python
apache-2.0
47,293
[ "Octopus" ]
1d0943dcec1bbd1c0e3e4ce65dc557229d3f6a08855ee82edaf0d76ec823dafe
from aiida import load_dbenv load_dbenv() from aiida.orm import Code, DataFactory import numpy as np StructureData = DataFactory('structure') ParameterData = DataFactory('parameter') codename = 'lammps_optimize@boston' ############################ # Define input parameters # ############################ # GaN ce...
abelcarreras/aiida_extensions
plugins/launcher/launch_lammps_optimization_gan.py
Python
mit
3,755
[ "LAMMPS" ]
26daa8b6f52faa72ce9200abc86be19bd2cdc8de09b5dc4f6796a0c3c283d004
######################################################################## # $HeadURL$ # File : CloudDirector.py # Author : Victor Mendez ######################################################################## #DIRAC from DIRAC import S_OK, S_ERROR, gConfig #VMDIRAC from VMDIRAC.Resources.Cloud.VMDirector ...
vmendez/VMDIRAC
Resources/Cloud/CloudDirector.py
Python
gpl-3.0
3,561
[ "DIRAC" ]
1d9c78d5658089c9dd4c811f5fa6675b75f1baefb328785aa56ff1e460f145ac
""" Database of molecules outside the G2_1 set """ molecule_names = ['Be2','C7NH5','BDA','biphenyl','C60'] data = { 'Be2': { 'description': "Diatomic Beryllium", 'name': "Be_2", 'enthalpy': 155.1, 'ZPE': 1.0000, 'thermal correction': 5.0600, 'symbols': 'BeBe', 'magmoms': None, 'positi...
grhawk/ASE
tools/ase/data/extra_molecules.py
Python
gpl-2.0
7,220
[ "GPAW" ]
4806cbdadbfd9533043bb822302f428f550023af3d978bf346650e09e274fcc4
import copy import board, model from legacy.common import all_different import p2w.nodes PATTERNS = { 'Star': [(1, 1), (1, -1), (-1, 1), (-1, -1)], 'BigStar': [(2, 2), (2, -2), (-2, 2), (-2, -2)], 'Cross': [(0, 1), (0, -1), (-1, 0), (1, 0)], 'BigCross': [(0, 2), (0, -2), (-2, 0), (2, 0)], 'Wheel':...
dturevski/olive-gui
yacpdb/indexer/analyzers/trajectories.py
Python
gpl-3.0
10,258
[ "VisIt" ]
c34f554d8a472e9c0233aad585d0178b493fe688b3c3eb5c142e041897a6c6b9
#!/usr/bin/env python ### cut a fasta query (arg1) in "nbPart" (passed by aprun) ### subFasta files and launches a blast+ program (arg3) ### vs the bank (arg2) for each subfasta and then ### concatenates the tab delimited blast results in ### one file. You can add any additional blast+ option in the ### arg4 with quote...
alunem/bioman
blast/bmn-mpiBlastHopper.py
Python
gpl-2.0
4,865
[ "BLAST" ]
e450e4df60568d5edf372615736bc3ff8ee1e53f93ab22aca9b212b914766343
## Automatically adapted for numpy.oldnumeric Jun 27, 2008 by -c from rdkit import RDConfig import unittest from rdkit.ML.InfoTheory import rdInfoTheory try: from rdkit.ML.InfoTheory import BitClusterer except ImportError: BitClusterer=None from rdkit.ML.Data import DataUtils from rdkit import DataStructs import r...
rdkit/rdkit-orig
rdkit/ML/InfoTheory/testCorrMatGen.py
Python
bsd-3-clause
3,376
[ "RDKit" ]
e81fa7ae234d38a1c37839a14c90f65b376a1b8e7f8b89672609aaf2070cdf27
# this program corresponds to special.py ### Means test is not done yet # E Means test is giving error (E) # F Means test is failing (F) # EF Means test is giving error and Failing #! Means test is segfaulting # 8 Means test runs forever ### test_besselpoly ### test_mathieu_a ### test_mathieu_even_coef ##...
niknow/scipy
scipy/special/tests/test_basic.py
Python
bsd-3-clause
129,612
[ "Elk" ]
fe42f035d052fcc9a4935e74e8ffa6b410dcc7c29d19e606b5d4691c8533608e