text
stringlengths
12
1.05M
repo_name
stringlengths
5
86
path
stringlengths
4
191
language
stringclasses
1 value
license
stringclasses
15 values
size
int32
12
1.05M
keyword
listlengths
1
23
text_hash
stringlengths
64
64
""" Interactor This class can be used to simply managing callback resources. Callbacks are often used by interactors with vtk and callbacks are hard to keep track of. Use multiple inheritance to inherit from this class to get access to the convenience methods. Observers for vtk events can be added through AddObserver...
berendkleinhaneveld/Registrationshop
ui/Interactor.py
Python
mit
1,240
[ "VTK" ]
f7096f40b557d4ea2c2df176fc8fe62d6dffa338b4f6bb26c76c9d80ba661a0c
import os import mdtraj as md import mdtraj.utils.fah n_runs = 1 n_clones = 500 # To do: look this up via glob project = 10466 codename = {10466:"T4", 10467:"src", 10468:"abl", 10469:"EGFR"}[project] min_num_frames = 800 stride = 4 input_data_path = "/data/choderalab/fah/analysis/%d/concatenated_trajectories/" % pr...
kyleabeauchamp/fah-projects
code/analysis/strip_water.py
Python
gpl-2.0
1,265
[ "MDTraj" ]
979b368378a8fdb0921fbe20db51e0b10d3d7c9e3d54d9f4c990547bb674be67
#!/usr/bin/python # -*- coding: utf-8 -*- from __future__ import (absolute_import, division, print_function) __metaclass__ = type # # Copyright (C) 2017 Lenovo, Inc. # # This file is part of Ansible # # Ansible is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public Licens...
Russell-IO/ansible
lib/ansible/modules/network/cnos/cnos_conditional_command.py
Python
gpl-3.0
7,305
[ "VisIt" ]
743a3c982ded1069c9bb47ad4b9854a914adc89fdc378f064b1607fbdb4d5841
from algernon.neuron import Neuron class Perceptron: def __init__(self, n_inputs): self.neuron = Neuron(n_inputs) def train(self, in_set, des_out_set, max_epoch=500, des_error=0.1, learning_rate=0.1): for epoch in range(max_epoch): error = 0 error_weights = [0] * len(s...
andrea96/algernon
algernon/perceptron.py
Python
gpl-3.0
1,414
[ "NEURON" ]
256e798e2c30a59caebd37045ba9c25aae4ccd0e001ad1420a84e449806da252
#!/usr/bin/env python # -*- coding: utf-8 -*- # Copyright (C) 2006-2009 Søren Roug, European Environment Agency # # This is free software. You may redistribute it under the terms # of the Apache license and the GNU General Public License Version # 2 or at your option any later version. # # This program is distributed ...
agiacomolli/odfpy
setup.py
Python
apache-2.0
3,949
[ "VisIt" ]
559aa63807e2a966131dfde0db6a036bfccb52a19d856470daf264da104b0f45
# -*- coding: utf-8 -*- # # structural_plasticity.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 L...
sanjayankur31/nest-simulator
pynest/examples/structural_plasticity.py
Python
gpl-2.0
13,737
[ "Gaussian", "NEURON" ]
3e17930b3e2ad43cc2473abc96a368b3a804e39f115471f477b00ba48aecbadc
from pathlib import Path import numpy as np import pytest import psi4 from psi4.driver.p4util.solvers import davidson_solver, hamiltonian_solver from psi4.driver.procrouting.response.scf_products import (TDRSCFEngine, TDUSCFEngine) from .utils import * ## ma...
CDSherrill/psi4
tests/pytests/test_tdscf_excitations.py
Python
lgpl-3.0
35,391
[ "Psi4" ]
77cff648c99666abb74531063c2f9527542f35532057ce41df85610a3a2e520b
# ============================================================================ # # Copyright (C) 2007-2010 Conceptive Engineering bvba. All rights reserved. # www.conceptive.be / project-camelot@conceptive.be # # This file is part of the Camelot Library. # # This file may be used under the terms of the GNU General...
kurtraschke/camelot
camelot/view/wizard/pages/__init__.py
Python
gpl-2.0
1,068
[ "VisIt" ]
cfd7852a26319b313f253bbf73dab217ce7575dfaa67e6b24cedcb3f6d2dc62d
"""Country names to ISO3166_alpha2 codes mapping Roughly generated by the following bash script on GNU/Linux: while read cc name; do [ ! "$cc" ] && continue out=$(isoquery $cc | cut -f3 --complement); [ ! "$out" ] && out="$cc" [ "$(echo $out | cut -f3)" = "$...
kernc/orange3-text
orangecontrib/text/country_codes.py
Python
bsd-2-clause
9,422
[ "BWA" ]
1f112e0a0a4dfdaacd2165e63cb670c5395f5ea8b66b5ac8e06b120553d97169
import numpy as np from utils import * from ilqr import LQR # implements guided policy search algorithm # based on work of S Levine, P Abbeel # class GPS( object ): def __init__( self, params ): self.x_len = params[ 'x_len' ] self.u_len = params[ 'u_len' ] self.num_gaussians = params[ 'num_gaussians' ] def ...
marcino239/gps
gps.py
Python
gpl-3.0
2,556
[ "Gaussian" ]
032940e6d1b4868a88e458d36a04876e59c7b7cda1eb7fb3ed071e17fb3af392
#!/usr/bin/python ## A PYTHON script to convert CRYSTAL output to Qwalk input, ## based on Qwalk crystal2qmc ## ## Author: ## Huihuo Zheng, ## Department of Physics, UIUC ## hzheng8@illinois.edu / zhenghh04@gmail.com ## Date: 02-02-2013 ########################################################...
bbusemeyer/mainline
utils/crystal2qmc_wrap.py
Python
gpl-2.0
3,044
[ "CRYSTAL" ]
1e4f28a903ddf3b03291b35b4f73fa841e8c29ecb7e37319f230c5f92e356575
#----------------------------------------------------------------------------- # Copyright (c) 2010-2012 Brian Granger, Min Ragan-Kelley # # This file is part of pyzmq # # Distributed under the terms of the New BSD License. The full license is in # the file COPYING.BSD, distributed as part of this software. #-----...
IsCoolEntertainment/debpkg_python-pyzmq
zmq/tests/test_multipart.py
Python
lgpl-3.0
1,579
[ "Brian" ]
0246b65f097b062e907d4645fa278d6c0c7c6e3d6611eeb59c657726e70e89d4
import glob files = glob.glob('*.cc') files += glob.glob('*.h') #rep_list = ['ci_tol.h', 'civect.h', 'ciwave.h', 'globaldefs.h odometer.h', 'slaterd.h', 'structs.h'] rep_list = ['globaldefs.h', 'odometer.h'] for fn in files: with open(fn, 'r') as f: data = f.read() for string in rep_list: ...
kannon92/psi4
psi4/src/psi4/detci/replacer.py
Python
gpl-2.0
594
[ "Psi4" ]
f274103c5d0b496a489c5f3ffc9bb205bb70662238c761a7084fb4db0aa2f6c6
from rdkit import Chem from copy import copy from pipelines_utils import utils from molvs import enumerate_tautomers_smiles,canonicalize_tautomer_smiles,Standardizer from molvs.charge import Uncharger,Reionizer from standardiser import standardise standardizer = Standardizer() def _spam(n): out=[] for perm ...
InformaticsMatters/pipelines
src/python/pipelines/rdkit/sanify_utils.py
Python
apache-2.0
2,643
[ "RDKit" ]
f00b5e763b546e68c25898e6767e0e2b251507eba9f339f28ad0d0714b4e594e
# 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...
mkuron/espresso
testsuite/scripts/tutorials/test_11-ferrofluid_1.py
Python
gpl-3.0
1,339
[ "ESPResSo" ]
bce301b3db84d34a1e00b6fb12a03429b3eea6a0888b4eceb21c2f90a0a264b1
from lib.keras_utils import * from lib.utils import * from parameters import * EPS = 1e-10 # Epsilon MIN_CP = -2. # Minimum power index of c MAX_CP = 2. # Maximum power index of c SCORE_THRES = 0.9 # Softmax score threshold to consider success of attacks PROG_PRINT_STEPS = 50 # Print progress every certain step...
chawins/aml
lib/OptCarlini.py
Python
mit
14,164
[ "Gaussian" ]
5ac50621474a019a2311600f05a2a8145181b8fd242e1ad4e83117182697cf9d
# -*- coding:utf-8 -*- # Copyright (c) 2015, Galaxy Authors. All Rights Reserved # Use of this source code is governed by a BSD-style license that can be # found in the LICENSE file. # # Author: wangtaize@baidu.com # Date: 2015-03-30 class ValidateException(Exception): pass def validate_init_service_group_req(re...
linyvxiang/galaxy
console/backend/src/console/taskgroup/helper.py
Python
bsd-3-clause
2,337
[ "Galaxy" ]
097f915307fa2ef7d9ac0b1a989aa52d7ecd5b8bb852e064a585ded1789e722b
''' Created on 23/11/2009 @author: brian ''' from scipysim.actors.signal import Ramp from scipysim.actors.display import Plotter from scipysim.actors import Channel, CompositeActor class RampPlot(CompositeActor): '''This example simulation connects a ramp source to a plotter.''' def __init__(self): ''...
hardbyte/scipy-sim
scipysim/models/scripted_ramp_plot.py
Python
gpl-3.0
628
[ "Brian" ]
8988cf150b76ed0abedbf280d740c67f498c53c85892154cc39ed478c3dedae9
# -*- coding: utf-8 -*- import math import os import tensorflow as tf import numpy as np import pandas as pd import pickle import pickle as pkl import cv2 import skimage import random import tensorflow.python.platform from tensorflow.python.ops import rnn from keras.preprocessing import sequence from collections import...
dricciardelli/vae2vec
capt_gen_aux_e2o.py
Python
mit
41,104
[ "Gaussian" ]
ccabfa26e99e4123be00454cf648cfa02f383376ead3b3950acc19d168372463
# coding=utf-8 # Copyright 2022 The Google Research 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 applicab...
google-research/google-research
uflow/uflow_net.py
Python
apache-2.0
27,801
[ "Gaussian" ]
7f04cb2469e22a55b158426e9aa0b40b511d9098857f99116c773aa08c20253c
#!/usr/bin/env python2 # Make.py tool for managing packages and their auxiliary libs, # auto-editing machine Makefiles, and building LAMMPS # Syntax: Make.py -h (for help) # Notes: needs python 2.7 (not Python 3) import sys,os,commands,re,copy # switch abbrevs # switch classes = created class for each switch # lib...
qipa/lammps
src/Make.py
Python
gpl-2.0
70,857
[ "LAMMPS" ]
11c1220d2a7daacd145126c9155da830e5793967ea1f5f5b11d792665f22100e
#! /usr/bin/env python sources = """ eNrsvWuX3MiRKKa7flxvXe/LXl8/rw9UXC6AmWqwmzN6bN+pmaU4pJarmSEPH6vRafUtoqvQ3VBX AUUAxe6+Wvn4u7/4H/gv+Bz/CP8b/wbHK59IVFVzNNL6HFOariogMzIzMjIyIjIy4n/9k9+9+0Hy 5i/Xt9lsWV9ks1lZld1s9u5fvfnH8XgcwbOLsrqIHr14FiXxuqkXm3nRtHGUV4sontdVu1nRb/ha FfOuWETvyzy6Km6v62bRphEAGY3e/cmbf40ttN3i3X/y+v/4Vz/...
djds23/element_gen
runtest.py
Python
gpl-2.0
222,798
[ "EPW" ]
5746809f6c8cd171c089f3f612f24c9983afa7962a25fea55149b13509a11aaf
#!/usr/bin/python # # Copyright 2015 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-2.0 # # Unless required by...
Roshan2017/spinnaker
dev/build_release.py
Python
apache-2.0
24,333
[ "ORCA" ]
61d890cf3f43bd5803d9467025fac46561ce1ca5f134a001d65acb643d620b8a
"""extract_time_series.py is a thin wrapper around extract_time_series.ncl which interpolations to locations and heights. Usage: extract_time_series.py <file>... --loc=<file> --opt=<file> --height=<h>... [--mode=<mode>] [--out=<dir>] [-h | --help] [--ncl-code=<path>] [--dry-run] Options: --loc=<file> ...
samwisehawkins/wrftools
util/extract_time_series.py
Python
mit
3,657
[ "NetCDF" ]
572e61dcc8e44228e56a1b9c91db0ca27ef41ead66e51861cb9fa033c42a96fc
# coding=utf-8 # Copyright 2018 The Hypebot 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...
google/hypebot
hypebot/plugins/hypejack_lib.py
Python
apache-2.0
15,524
[ "CASINO" ]
06e87332f5e59fda469dfb3ae82b05cd07badc01c313e3c20e7faf9dba4f15ea
from __future__ import with_statement import os import re import platform import time import fnmatch import tempfile from os import environ from sos.utilities import (ImporterHelper, import_module, shell_out) from sos.plugins import IndependentPlugin, Experimental...
cnewcome/sos
sos/policies/__init__.py
Python
gpl-2.0
13,850
[ "VisIt" ]
f5eb2bffde239b766b88522c45a6b6bdf931e5ace922c50c5bee17406d06a7da
""" **hep_ml.reweight** contains reweighting algorithms. Reweighting is procedure of finding such weights for original distribution, that make distribution of one or several variables identical in original distribution and target distribution. Remark: if each variable has identical distribution in two samples, this d...
anaderi/hep_ml
hep_ml/reweight.py
Python
apache-2.0
11,419
[ "Gaussian" ]
2e7ca8ec167ae1a47491f68a06419494cb600a278c6264ad91cca2f20d1da3df
# Tear.py # Aaron Taylor # Moose Abumeeiz # # The tear can be shot from an enemy or the main character. # It will hurt anything of the oppisite type (enemies and good guys) # from pygame import * from const import * from random import randint from Animation import * class Tear: """Main tear class""" def __init__(...
ExPHAT/binding-of-isaac
Tear.py
Python
mit
2,931
[ "MOOSE" ]
d34f606c3f0457d31394cee6e4b5bb11e302635190ba581b922d14595d41e8b0
# Copyright 2009 Brian Quinlan. All Rights Reserved. # Licensed to PSF under a Contributor Agreement. from __future__ import with_statement import logging import threading import time from concurrent.futures._compat import reraise try: from collections import namedtuple except ImportError: from concurrent.fu...
LockScreen/Backend
venv/lib/python2.7/site-packages/concurrent/futures/_base.py
Python
mit
20,830
[ "Brian" ]
086d538016cdf23c03514a4ede24a5d85df6dcab9604e3426c91793fe71b5689
# -*- coding: utf-8 -*- """ ORCA Open Remote Control Application Copyright (C) 2013-2020 Carsten Thielepape Please contact me by : http://www.orca-remote.org/ This program is free software: you can redistribute it and/or modify it under the terms of the GNU General Public License as publi...
thica/ORCA-Remote
src/ORCA/download/LoadOnlineResource.py
Python
gpl-3.0
9,233
[ "ORCA" ]
e8d59f8fc3333a114783b75b2f4bd498661864053d9a68b4d1d546a54736e5e7
import astropy.io.fits as pf import os import numpy as np from copy import deepcopy from itertools import chain import unittest import healpy as hp import warnings # disable new order warnings in tests warnings.filterwarnings("ignore") class TestSphtFunc(unittest.TestCase): def setUp(self): self.lmax ...
cjcopi/healpy
healpy/test/test_sphtfunc.py
Python
gpl-2.0
14,940
[ "Gaussian" ]
be3434b71f88cedd90a94ef0c379bb98c058ac61c903440a988d20f23bc6f0da
'''Nest-specific implementation of the grid cell model. .. currentmodule:: grid_cell_model.models.gc_net_nest Classes ------- .. autosummary:: NestGridCellNetwork BasicGridCellNetwork ConstantVelocityNetwork PosInputs ConstPosInputs ''' from __future__ import absolute_import, print_function impo...
MattNolanLab/ei-attractor
grid_cell_model/models/gc_net_nest.py
Python
gpl-3.0
40,776
[ "Brian", "NEURON" ]
399ac71f0e5175afea649f2f49674aecae44f4177472693b9169c933c8c49e1a
#!/usr/bin/env python3 # -*- coding: utf-8 -*- """ Created on Wed Sep 19 13:46:56 2018 @author: alex """ import re import numpy as np import logging from .ParserData import MolecularOrbitals, Amplitudes from .QCBase import QCMethod, VarNames as V from .QCBase import var_tag from .ParserTools import is_float # create...
spectre007/CCParser
Gaussian.py
Python
mit
6,469
[ "Gaussian" ]
4d2d0f4a0592a85f9930c03fdc9f912b0036a43c614fcecd2bc04760c61e58fc
############################### # This file is part of PyLaDa. # # Copyright (C) 2013 National Renewable Energy Lab # # PyLaDa is a high throughput computational platform for Physics. It aims to make it easier to submit # large numbers of jobs on supercomputers. It provides a python interface to physical input, suc...
pylada/pylada-light
src/pylada/vasp/emass.py
Python
gpl-3.0
16,450
[ "CRYSTAL", "VASP" ]
b626c193fc967b63cd3467747e1edb41998e5b09aefd63016dadaeff9ab7592b
#!/usr/bin/python # -*- coding: utf-8 -*- # (c) 2018, Chris Houseknecht <@chouseknecht> # GNU General Public License v3.0+ (see COPYING or https://www.gnu.org/licenses/gpl-3.0.txt) from __future__ import absolute_import, division, print_function __metaclass__ = type ANSIBLE_METADATA = {'metadata_version': '1.1', ...
cyberark-bizdev/ansible
lib/ansible/modules/clustering/openshift/openshift_raw.py
Python
gpl-3.0
5,342
[ "Galaxy" ]
6ee8c7013f1996e1e0a4d037e1b680a3e8c1c771c3f190c993d98548a6ed0fb4
# This sucks! print('Version 0.03. This is the latest version.') print('Please help me to improve it reporting bugs to guido.sterbini@cern.ch.') # Fixes with respect to v0.2. # unixtime2datetimeVectorize modified len with np.size # Fixes with respect to v0.1. # Fixed the bug of the local/UTC time in importing the matl...
sterbini/MDToolbox
myToolbox.py
Python
mit
35,677
[ "Gaussian" ]
e1e818ab3b489a9743647570d3fbeb09b07b90a1de8c2fcf5ffc111d1fa31dc4
# # 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
src/textcode/strings.py
Python
apache-2.0
8,700
[ "VisIt" ]
d3468ff7688e949729512574e46e0b0737bf2bfc1df179588eaca1d0f5b0bfad
#!/usr/bin/env python import vtk from vtk.test import Testing from vtk.util.misc import vtkGetDataRoot VTK_DATA_ROOT = vtkGetDataRoot() # this script tests vtkImageReslice with different slab modes # Image pipeline reader = vtk.vtkImageReader() reader.ReleaseDataFlagOff() reader.SetDataByteOrderToLittleEndian() reader...
HopeFOAM/HopeFOAM
ThirdParty-0.1/ParaView-5.0.1/VTK/Imaging/Core/Testing/Python/ResliceSlabModes.py
Python
gpl-3.0
3,551
[ "VTK" ]
46c8ebb65a9c5bc88cb626f2a95795b1383f433263df2136c71fe5b2eac88727
### All lines that are commented out (and some that aren't) are optional ### DB_ENGINE = 'sqlite:///db.sqlite' #DB_ENGINE = 'mysql://user:pass@localhost/monocle' #DB_ENGINE = 'postgresql://user:pass@localhost/monocle AREA_NAME = 'SLC' # the city or region you are scanning LANGUAGE = 'EN' # ISO 639-1 codes E...
sebast1219/Monocle
config.example.py
Python
mit
16,723
[ "VisIt" ]
7e5f4a2422a2813adb9547e43e273519ba7c1c5c996d12919050e8257c2ac80d
""" ============================================== Plot randomly generated classification dataset ============================================== Plot several randomly generated 2D classification datasets. This example illustrates the :func:`datasets.make_classification` :func:`datasets.make_blobs` and :func:`datasets....
RPGOne/Skynet
scikit-learn-0.18.1/examples/datasets/plot_random_dataset.py
Python
bsd-3-clause
2,254
[ "Gaussian" ]
1f2d258b7bb117fb25c445e02c1b6fb090c7a4daf63714caa6e5b9ce368e9c15
tests = [ ("python", "test_list.py", {'dir': 'ML'}), ("python", "test_list.py", {'dir': 'Chem'}), ("python", "test_list.py", {'dir': 'DataStructs'}), ("python", "test_list.py", {'dir': 'Dbase'}), ("python", "test_list.py", {'dir': 'SimDivFilters'}), ("python", "test_list.py", {'dir': 'VLib'}), ("python", ...
rvianello/rdkit
rdkit/test_list.py
Python
bsd-3-clause
578
[ "RDKit" ]
fdf32d85bfb93e777b68fdaec205c5cc39c617249a163324bdf4cc156dca0c70
# -*- coding: utf-8 -*- """ sphinx.apidoc ~~~~~~~~~~~~~ Parses a directory tree looking for Python modules and packages and creates ReST files appropriately to create code documentation with Sphinx. It also creates a modules index (named modules.<suffix>). This is derived from the "sphinx-aut...
baharev/apidocfilter
hacked.py
Python
bsd-3-clause
18,605
[ "VisIt" ]
4663ecfd8b00063d85ab8c9161365115d83fcf3f40a15dc39088a44f4505c8d8
# 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...
fedepad/espressopp
src/esutil/Grid.py
Python
gpl-3.0
1,408
[ "ESPResSo" ]
3c2adc70a8f5d1037548b6d2be1de2c140d7f32ba59c011918e8dd1e8905ecb1
# Copyright 2017 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-2.0 # # Unless required by applicable law or a...
duftler/spinnaker
dev/validate_bom__test.py
Python
apache-2.0
44,197
[ "ORCA" ]
c786efbf8f4a933dfaf4dac6957fd32071ecd59afa7714dfc4953faa7ece9667
import django_tables2 as tables from django_tables2.utils import A, Accessor from mmg.jobtrak.links.models import * from django.utils.translation import ugettext_lazy as _ import external_urls class JobBoardTable(tables.Table): url = tables.TemplateColumn( '<a href="{% load external_urls %}{% external_url ...
MarconiMediaGroup/JobTrak
web/code/mmg/jobtrak/links/tables.py
Python
apache-2.0
758
[ "VisIt" ]
586d4d812c100aaf13f7352ec457be92a09d88bb7c5815ca463ad6e851b2ba99
"""Phonon band-structure for silicon using the Appelbaum-Hamann PP. For comparison, see e.g.: * Phys. Rev. B 43, 7231 (1991). """ import numpy as np import pylab as plt import ase.units as units from ase.dft.kpoints import ibz_points, get_bandpath from gpaw.mpi import rank, world from gpaw.dfpt import PhononC...
qsnake/gpaw
gpaw/test/big/dfpt/Si_bandstructure.py
Python
gpl-3.0
1,888
[ "ASE", "GPAW" ]
fde80706b7d298bf52d5de22d360dc18b262f57b696db8d97be5df31907ce458
#!/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...
pli3/e2-openwbif
plugin/controllers/views/mobile/channels.py
Python
gpl-2.0
7,404
[ "VisIt" ]
cba79259b4bce69bcb95250648af7a6594a16a1f6ba2fb84a71533edae596496
"Test the RawRadialDistributionFunction function." from numpy import * from asap3 import * from asap3 import _asap from ase.lattice.compounds import NaCl from asap3.testtools import * from asap3.Internal.ListOfElements import ListOfElements print_version(1) # testtypes: latticeconst, maxRDF, bins, useEMT testtypes =...
auag92/n2dm
Asap-3.8.4/Test/RawRDF2.py
Python
mit
2,068
[ "ASE" ]
443e00c9115252b78c41ec131b0404d0076d09345e64af07a76526c9f5ed495c
# -*- coding: utf-8 -*- # # 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 "L...
ddna1021/spark
python/pyspark/ml/tests.py
Python
apache-2.0
114,903
[ "Gaussian" ]
ce6b8a444818085cbeffa5d9ccbd3a2595cafcd60fe2bcf77635df2baff4c197
#!/usr/bin/python # coding=utf-8 # Release script for LIAM2 # Licence: GPLv3 from __future__ import print_function import errno import fnmatch import os import re import stat import subprocess import urllib import zipfile from datetime import date from os import chdir, makedirs from os.path import exists, getsize, ab...
cbenz/liam2
make_release.py
Python
gpl-3.0
21,316
[ "TINKER" ]
78bb577200ee7c836f1fd6578258e0984c312775fa8a25a88412cc0102763529
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. """ Development script of the ChemEnv utility to get the explicit permutations for coordination environments identified with the explicit permutations algorithms (typically with coordination numbers <= 6) """ ...
gVallverdu/pymatgen
dev_scripts/chemenv/explicit_permutations.py
Python
mit
3,736
[ "pymatgen" ]
1fdda7bbde85cef6e12d5f64bdce66a191741363c3bdaf689c287473c483720e
""" Pawel Potocki - vtk surface canvas """ import copy import math import numpy import vtk import logging import functools32 as func import colors logging.basicConfig(format='%(asctime)s: %(levelname)s: %(message)s', level=logging.DEBUG) def colorAsFloatValues(color): """ convert color values """ return co...
viz4biz/PyDataNYC2015
vtklib/vtk_surface.py
Python
apache-2.0
42,076
[ "VTK" ]
e1e276305e5d5cab93914fb209be2a8c33e78a583bb436ab5f3d636571205f5d
import numpy as np import itertools class Structure: def __init__(self, positions=None, scaled_positions=None, masses=None, cell=None, force_sets=None, force_constants=None, atomic_numbers=None,...
abelcarreras/DynaPhoPy
dynaphopy/atoms.py
Python
mit
20,666
[ "CRYSTAL" ]
52e3d03a7f8a4121ef013419a73ce024ce6a28dc380b7ab0cbbbadf9375fb269
"""Support for control of ElkM1 sensors.""" from elkm1_lib.const import ( SettingFormat, ZoneLogicalStatus, ZonePhysicalStatus, ZoneType, ) from elkm1_lib.util import pretty_const, username import voluptuous as vol from homeassistant.components.sensor import SensorEntity from homeassistant.const import...
sander76/home-assistant
homeassistant/components/elkm1/sensor.py
Python
apache-2.0
9,367
[ "Elk" ]
33c3f7a4232e180a49a92eeb3e34c191cfa86987353af502e46d9a89d90172ec
# # Bare-bones re-implementation of CMA-ES. # # This file is part of PINTS (https://github.com/pints-team/pints/) which is # released under the BSD 3-clause license. See accompanying LICENSE.md for # copyright notice and full license details. # import numpy as np import pints import warnings from numpy.linalg import n...
martinjrobins/hobo
pints/_optimisers/_cmaes_bare.py
Python
bsd-3-clause
13,798
[ "Gaussian" ]
bafd401246e41b9bb4114fa5842b2e36bcef6132c6136f16b4f3fabc8a2bfd2e
import numpy as np from ase import Atoms from ase.constraints import FixAtoms from ase.calculators.emt import EMT from ase.neb import NEB from ase.visualize import view from ase.optimize.fire import FIRE as QuasiNewton from ase.lattice.surface import surface from ase.lattice.cubic import FaceCenteredCubic #set the num...
misdoro/python-ase
doc/tutorials/neb/idpp4.py
Python
gpl-2.0
2,077
[ "ASE" ]
05fcfabfe30c128884367f2b017e5fcc1fdbf247bc488ba8e46cf6bcfd9453b5
from PyQt4.Qt import * from numpy import * import Avogadro import sys import unittest from util import * class TestCamera(unittest.TestCase): def setUp(self): # create the GLWidget and load the default engines self.glwidget = Avogadro.GLWidget() self.glwidget.loadDefaultEngines() self.molecule ...
rcplane/periodicdisplay
reference/avogadro/libavogadro/src/python/unittest/camera.py
Python
gpl-2.0
2,353
[ "Avogadro" ]
e436acf2ff7a2dd60f5e59fd8db3372b6ed1569fac369a6905825ba0db9de3ff
# -*- coding: utf-8 -*- """ Climate Data Module @author: Mike Amy """ from calendar import isleap from collections import OrderedDict from datetime import date, timedelta from math import floor from gluon import current # @ToDo: Nasty! db = current.db same = lambda x: x # keyed off the units field in the ...
flavour/ifrc_qa
modules/ClimateDataPortal/__init__.py
Python
mit
17,081
[ "NetCDF" ]
914cd75e0f5a90eeb70ae3060261a20e87bc0e6bde4d1403b4eae8417413cf50
class Node(object): _fields = tuple() def __init__(self): self.__info__ = {} def is_ancestor_of(self, other): if self is other: return True for value in self.__dict__.values(): if isinstance(value, list): for item in value: ...
kyouko-taiga/tango
tango/ast.py
Python
apache-2.0
26,571
[ "VisIt" ]
88e90e6d46b78c4196ca871c491be4f23a1503b096c4886937e85956e6c35696
# -*- coding: utf-8 -*- from __future__ import unicode_literals from django.db import models, migrations from django.conf import settings import hs_core.models class Migration(migrations.Migration): dependencies = [ ('auth', '0001_initial'), ('pages', '__first__'), migrations.swappable_d...
FescueFungiShare/hydroshare
hs_app_netCDF/migrations/0001_initial.py
Python
bsd-3-clause
7,033
[ "NetCDF" ]
24f64360901edef9e5939758c339e58164059902178f6e8f883da4ebea9d05ed
#!/usr/bin/python3 # Copyright (C) 2007-2010 www.stani.be # # 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 pr...
Curly060/Cinnamon
files/usr/share/cinnamon/cinnamon-settings/bin/imtools.py
Python
gpl-2.0
39,628
[ "Gaussian" ]
688240100ff8e9fc9e7dde02158c351b366bdeeecf4091bbd07c8993e7af17ca
import os.path import pysam __program__ = 'prepare' __author__ = 'Soh Ishiguro <yukke@g-language.org>' __license__ = '' __status__ = 'development' class AlignmentPreparation(object): def __init__(self): # TODO: AlignmentStream.__init__ move into here. pass def alignment_prepare(self)...
soh-i/Ivy
src/Ivy/alignment/prepare.py
Python
gpl-2.0
1,568
[ "pysam" ]
a59d4e4537a82e43b48633176759a6efa3dce70b66a7d8689f51cf4d5209969d
"""Class for making requests to a ComponentMonitoring Service.""" from __future__ import absolute_import from __future__ import division from __future__ import print_function __RCSID__ = "$Id$" from DIRAC.Core.Base.Client import Client, createClient @createClient('Framework/ComponentMonitoring') class ComponentMoni...
yujikato/DIRAC
src/DIRAC/FrameworkSystem/Client/ComponentMonitoringClient.py
Python
gpl-3.0
531
[ "DIRAC" ]
8e1de74d37832428329acc5d683be8de5e4b1d8f9fc09458de4f16262feb9c6e
""" ========================================== Statistical functions (:mod:`scipy.stats`) ========================================== .. module:: scipy.stats This module contains a large number of probability distributions as well as a growing library of statistical functions. Each included distribution is an instanc...
maciejkula/scipy
scipy/stats/__init__.py
Python
bsd-3-clause
9,213
[ "Gaussian" ]
f1bcc13dd272a8a65021cb8f82ff725715dae470aa3e5eb741abf9eec3685127
#!/usr/bin/env python #============================================================================================= # MODULE DOCSTRING #============================================================================================= """ Physical property estimation API. Authors ------- * John D. Chodera <john.chodera@...
bmanubay/open-forcefield-tools
openforcefield/propertyestimator.py
Python
mit
5,436
[ "OpenMM" ]
ac7287cb069dc9dbde70e989cda4fcd3bf694334c5de86356f89ddc87757aff4
################################################################################ # Copyright (C) 2015 Jaakko Luttinen # # This file is licensed under the MIT License. ################################################################################ """ Black-box variational inference """ import numpy as np import sc...
SalemAmeen/bayespy
bayespy/demos/black_box.py
Python
mit
3,429
[ "Gaussian" ]
d46ab69e4bc85a813895465a93540fa10fe727cb3636001d9f7a4f742ea0e06d
#!/usr/bin/python3 """ Local Laplacian, see e.g. Aubry et al 2011, "Fast and Robust Pyramid-based Image Processing". """ from __future__ import division # if running with python2 from halide import * import numpy as np from scipy.misc import imread, imsave import os.path int_t = Int(32) float_t = Float(32) def g...
ronen/Halide
python_bindings/apps/local_laplacian.py
Python
mit
8,634
[ "Gaussian" ]
9b86c182161c54c83a58f6ab6bfdf8b9c4b6a5b033bdd9cff6f6b62858df75c1
#!/usr/bin/env python import argparse import sys import time from contact_utils import * from traj_utils import load_Trajs_generator parser = argparse.ArgumentParser(usage="""{} Trajs*.nc Topology.prmtop""". format(sys.argv[0]), epilog="""Load up a li...
jeiros/Scripts
AnalysisMDTraj/contacts.py
Python
mit
3,435
[ "Amber", "MDTraj", "NetCDF" ]
0116fa01829c61c3b52163f9db4a0156760f823cf0b2d652c1ac108cd8c7ce19
import time import splinter from lettuce import step,before,world,after from lettuce.django import django_url from django.contrib.auth.models import User from frontend.models import UserProfile, Feature from nose.tools import assert_equals # Steps used in more than one feature's steps file # Human readable CSS selec...
rossjones/ScraperWikiX
web/frontend/features/common_steps.py
Python
agpl-3.0
3,493
[ "VisIt" ]
ca5a88344818e23c75eae1eb5ebc9d516ca3443d7667a9f036309f416c37be99
# # Attempting to replicate lane detection results described in this tutorial by Naoki Shibuya: # https://medium.com/towards-data-science/finding-lane-lines-on-the-road-30cf016a1165 # For more see: https://github.com/naokishibuya/car-finding-lane-lines # # This 2nd version does a much better job of processing images. ...
guydavis/lane-detect
older/lane_detect.v2.py
Python
mit
6,587
[ "Gaussian" ]
358b0fc8d024ec40d2481e97297b8cf92abb76cbadbe763d8e1a7b3a04f2bacb
#!/usr/bin/env python ''' Run the charged system with Makov-Payne correction. ''' import numpy from pyscf.pbc import gto, scf cell = gto.M(atom='Al 0 0 0', basis='lanl2dz', ecp='lanl2dz', spin=0, a=numpy.eye(3)*6, charge=1, dimension=3) mf = scf.RHF(cell) mf.run()
gkc1000/pyscf
examples/pbc/28-charged_system.py
Python
apache-2.0
281
[ "PySCF" ]
03324096b895fff0669e6475575243e39ab12354540d216f3f5d6abc9df5b40c
""" A simple VTK widget for PyQt or PySide. See http://www.trolltech.com for Qt documentation, http://www.riverbankcomputing.co.uk for PyQt, and http://pyside.github.io for PySide. This class is based on the vtkGenericRenderWindowInteractor and is therefore fairly powerful. It should also play nicely with the vtk3DWi...
HopeFOAM/HopeFOAM
ThirdParty-0.1/ParaView-5.0.1/VTK/Wrapping/Python/vtk/qt/QVTKRenderWindowInteractor.py
Python
gpl-3.0
18,922
[ "CRYSTAL", "VTK" ]
fb4b7d494860d4ee09488b624deb0d58fa76368f3243890eb20b57882ad54832
from FactorySystem import InputParameters import os, sys, shutil # Get the real path of cluster_launcher if(os.path.islink(sys.argv[0])): pathname = os.path.dirname(os.path.realpath(sys.argv[0])) else: pathname = os.path.dirname(sys.argv[0]) pathname = os.path.abspath(pathname) # Add the utilities/python_getpot...
xy515258/moose
python/ClusterLauncher/Job.py
Python
lgpl-2.1
1,889
[ "MOOSE" ]
85d4abc266feab0e0137dba06955d00d39368f69f960e3f886600c1c6cd28c6e
import os import warnings # cmr calls all available methods in ase.atoms detected by the module inspect. # Therefore also deprecated methods are called - and we choose to silence those warnings. warnings.filterwarnings('ignore', 'ase.atoms.*deprecated',) from ase.test import NotAvailable # if CMR_SETTINGS_FILE is mis...
grhawk/ASE
tools/ase/test/cmr/reactions_xsimple.py
Python
gpl-2.0
2,261
[ "ASE" ]
ff0bad4be811a65418bba59be42506a864460029be94e2fc531aad890af9aa43
#!/usr/bin/env python # Copyright 2012 Google Inc. All Rights Reserved. """Bigquery Client library for Python.""" import abc import collections import datetime import hashlib import itertools import json import logging import os import pkgutil import random import re import string import sys import textwrap import ...
harshilasu/LinkurApp
y/google-cloud-sdk/platform/bq/bigquery_client.py
Python
gpl-3.0
86,264
[ "VisIt" ]
eac6915d7546818215e1c85721826401bec304d4873ba88d6ff0f8d677a08a33
# 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...
memo/tensorflow
tensorflow/contrib/bayesflow/python/kernel_tests/monte_carlo_test.py
Python
apache-2.0
7,220
[ "Gaussian" ]
bb4050e73c54c560332c7b2bdc869ea66dd52ca643f7b3743c9cdc0820f90568
# -*- coding: utf-8 -*- # Copyright (C) Brian Moe (2013-2014), Duncan Macleod (2014-) # # This file is part of LIGO CIS Core. # # LIGO CIS Core 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 ...
lscsoft/cis.server
cisserver/admin.py
Python
gpl-3.0
2,088
[ "Brian", "MOE" ]
d15d3cd7a835a5e443d2a0f32e32ea828373abc65d1407a8c15cb3b09c6ac49e
#!/usr/bin/env python # CREATED:2013-03-08 15:25:18 by Brian McFee <brm2132@columbia.edu> # unit tests for librosa.feature (feature.py) # # Run me as follows: # cd tests/ # nosetests -v # # This test suite verifies that librosa core routines match (numerically) the output # of various DPWE matlab implementations o...
craffel/librosa
tests/test_filters.py
Python
isc
10,149
[ "Brian" ]
a9a9e08c2b5b670359f3944fa2da0e2aaf69ba8956e49aa0e479e1437f1b939b
######################################################################## # # (C) 2013, James Cammarata <jcammarata@ansible.com> # # This file is part of Ansible # # Ansible is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software ...
dochang/ansible
lib/ansible/cli/galaxy.py
Python
gpl-3.0
30,367
[ "Galaxy" ]
431c1961f910a20b7d6935b946de19fd2262bc9c09acf668eb75101d3f35d955
#!/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/colorbar/zero_range.py
Python
lgpl-2.1
678
[ "MOOSE" ]
6bc14fb772539b329270bcb108c36281b8bb987e7f859c2b4e7de75c0b335505
""" Implementation of the class `OpenFOAMSimulation`. """ import os import numpy from scipy import signal from matplotlib import pyplot from ..simulation import Simulation from ..force import Force class OpenFOAMSimulation(Simulation): """ Contains info about a OpenFOAM simulation. Inherits from class Simula...
mesnardo/snake
snake/openfoam/simulation.py
Python
mit
14,299
[ "ParaView" ]
660524f9c5632754b79b9a0fcb408b7dfbe181db5f95069c926ace7311ef8dd6
import numpy as np def log(sigma=1., shape=None): # Laplacien of Gaussian if shape is None: width = int(np.ceil(3 * sigma)) shape = (width, width) result = np.zeros(shape) nbinx = shape[0] xmin = -(nbinx - 1) / 2 x = np.arange(xmin, -xmin + .1, 1) nbiny = shape[1] ymin = -...
calispac/digicampipe
digicampipe/image/lidccd/kernels.py
Python
gpl-3.0
1,906
[ "Gaussian" ]
c2715cd1b2d81ce08d115c7f5e2bf802a21cc84cacc9111ae898eb878e0b6edb
import ocl import camvtk import time import vtk import datetime if __name__ == "__main__": myscreen = camvtk.VTKScreen() stl = camvtk.STLSurf("../stl/demo.stl") print "STL surface read" myscreen.addActor(stl) stl.SetWireframe() stl.SetColor((0.5,0.5,0.5)) polydata = stl.src.GetO...
AlanZatarain/opencamlib
src/attic/pfinish_tst_1.py
Python
gpl-3.0
3,278
[ "VTK" ]
fa374b1f2a7cd1c45ccba22acf291c28948b3ee75127abf1a3e7f042f1046551
# -*- coding: utf-8 -*- """ Subsubmodule for ecg processing. """ import numpy as np import pandas as pd import biosppy import scipy from .bio_rsp import * from ..signal import * from ..materials import Path from ..statistics import * # ============================================================================== # ...
neuropsychology/NeuroKit.py
neurokit/bio/bio_ecg_preprocessing.py
Python
mit
23,113
[ "Gaussian" ]
7e602c64974c4f739863056ff53533ee98b5a7cddfd623efeea151f2542a3cd4
# -*- coding: utf-8 -*- ############################################################################ # # Copyright (C) 2011-2014 # Christian Kohlöffel # # This file is part of DXF2GCODE. # # DXF2GCODE is free software: you can redistribute it and/or modify # it under the terms of the GNU General P...
Poofjunior/dxf2gcode
gui/messagebox.py
Python
gpl-3.0
2,949
[ "VisIt" ]
b53eb1763d9de4b40925780faf76288d5b7debb99494ce8650e44ba5d82c5dce
#!/usr/bin/env python # -*- coding: iso-8859-1 -*- # # $Id: e8192a9e9900106561cd9a10220ad0521cfa1582 $ """ sqlcmd - a simple SQL command interpreter Requires: - The Grizzled Python API (http://www.clapper.org/software/python/grizzled/) - One or more Python DB API drivers. See the Grizzled "db" package. - The enum pa...
ychen820/microblog
y/google-cloud-sdk/platform/google_appengine/lib/sqlcmd/sqlcmd/__init__.py
Python
bsd-3-clause
61,025
[ "Brian" ]
a2326eeabe6650a280ce500bad2d2682bcce72178f4c616ac59234d65d1bc0c9
# -*- coding: utf-8 -*- # Copyright © 2014 Roberto Alsina and others. # 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 restriction, including without limitation # the rights to use...
getnikola/plugins
v7/emoji/emoji.py
Python
mit
27,893
[ "Bowtie", "Octopus" ]
82eab70c026a064da2df3ec43a1b6c46f2297a1d2b8c91ba07ec32a2e6e0c97b
#!/usr/bin/env python # -*- coding: utf-8 -*- ################################################################################ # # ChemPy - A chemistry toolkit for Python # # Copyright (c) 2010 by Joshua W. Allen (jwallen@mit.edu) # # Permission is hereby granted, free of charge, to any person obtaining a # co...
jwallen/ChemPy
setup.py
Python
mit
2,948
[ "ChemPy" ]
bce72303fe97a18a97a6ba41bc3071d911eca71cf83ad6fdc9e007151fab96b5
#!/usr/bin/env python # Copyright 2013 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. """The frontend for the Mojo bindings system.""" import argparse import imp import os import pprint import sys script_dir = os.path....
ChromiumWebApps/chromium
mojo/public/bindings/mojom_bindings_generator.py
Python
bsd-3-clause
3,912
[ "VisIt" ]
113932cedcbdb48607b0f02729162b36cdd2c8a34f661efc4037f51bd093c3a7
from dirac.lib.base import * from dirac.lib.diset import getRPCClient from dirac.lib.credentials import authorizeAction, getUsername, getSelectedGroup from DIRAC.Core.Utilities.List import uniqueElements from DIRAC import gConfig, gLogger from DIRAC import S_OK, S_ERROR from DIRAC.FrameworkSystem.Client.UserProfileClie...
DIRACGrid/DIRACWeb
dirac/controllers/web/Presenter.py
Python
gpl-3.0
23,286
[ "DIRAC" ]
284b14b098630270fba5a7193e54662ffdcb75c4e4f55e034f50d921c13e97ad
from __future__ import absolute_import from datetime import datetime import six import pytz import pytest from django.utils import timezone from sentry.testutils import AcceptanceTestCase, SnubaTestCase from sentry.testutils.helpers.datetime import iso_format, before_now from sentry.utils.compat.mock import patch f...
beeftornado/sentry
tests/acceptance/test_organization_global_selection_header.py
Python
bsd-3-clause
20,258
[ "VisIt" ]
271b5a49759628b5ca5bca8e41bc739b9151e9d35e0c1700e81f99c5002dba26
## \file ## \ingroup tutorial_roofit ## \notebook ## Addition and convolution: options for plotting components of composite pdfs. ## ## \macro_code ## ## \date February 2018 ## \authors Clemens Lange, Wouter Verkerke (C++ version) import ROOT # Set up composite pdf # -------------------------------------- # Declare ...
root-mirror/root
tutorials/roofit/rf205_compplot.py
Python
lgpl-2.1
4,541
[ "Gaussian" ]
dfad4d164d8be79ab5887d26905da075207cde072902162863618e1002c61c00
# -*- 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-orchestration-airflow
tests/unit/gapic/service_v1/test_environments.py
Python
apache-2.0
97,014
[ "Octopus" ]
63a9a998af4c754f213305e030ec9023e5d8a3dea035d8876b1fd969a8c1f2ca
## # Copyright 2009-2016 Ghent University # # This file is part of EasyBuild, # originally created by the HPC team of Ghent University (http://ugent.be/hpc/en), # with support of Ghent University (http://ugent.be/hpc), # the Flemish Supercomputer Centre (VSC) (https://www.vscentrum.be), # Flemish Research Foundation (F...
hpcleuven/easybuild-easyblocks
easybuild/easyblocks/d/dirac.py
Python
gpl-2.0
5,737
[ "DIRAC" ]
415905ee4144768533ac57fc5243ba6535ffd5cb2a4c9136f4142b3ce334ab4a
# -*- Mode: python; tab-width: 4; indent-tabs-mode:nil; coding:utf-8 -*- # vim: tabstop=4 expandtab shiftwidth=4 softtabstop=4 fileencoding=utf-8 # # MDAnalysis --- https://www.mdanalysis.org # Copyright (c) 2006-2017 The MDAnalysis Development Team and contributors # (see the file AUTHORS for the full list of names) #...
MDAnalysis/mdanalysis
testsuite/MDAnalysisTests/analysis/test_dihedrals.py
Python
gpl-2.0
8,616
[ "MDAnalysis" ]
4748a2f0274a77770053298b278c8af7c9f22742d61dfab09f332a0b8848da4f
""" Script to verify all examples in the readme. Simply execute python test_readme_examples.py """ from __future__ import print_function, division import numpy as np from scipy import misc def main(): example_standard_situation() example_heavy_augmentations() example_show() #example_grayscale() ...
nektor211/imgaug
tests/test_readme_examples.py
Python
mit
17,754
[ "Gaussian" ]
11c233333ef9c45938066a3773b7623b8ce72008b00acda0961b8030f7009413
""" Unit tests for masquerade. """ import json import pickle from datetime import datetime from django.conf import settings from django.core.urlresolvers import reverse from django.test import TestCase from mock import patch from pytz import UTC from capa.tests.response_xml_factory import OptionResponseXMLFactory fro...
proversity-org/edx-platform
lms/djangoapps/courseware/tests/test_masquerade.py
Python
agpl-3.0
21,271
[ "VisIt" ]
c0d8fea871c153758c6e1e28875770802f029d73f6fb4de35bc3d1dc1ad46484
#!/usr/bin/python # guess the number in the palm of your friend. # break - break is way of coming out of the loop abruptly. # sys.exit - take your out of the program. # task: restrict the people to max tries for 3 times import sys number = 7 #test = True # boolean answer = raw_input("Do you want to play the game: y/...
tuxfux-hlp-notes/python-batches
archieves/Batch-63/04-guess_number.py
Python
gpl-3.0
851
[ "VisIt" ]
cb7d3362a31cb35fdf7d6b7ff2e133ef0c969a368fa0abf8a8099a5cf323e986
from mdtraj.geometry import alignment import numpy as np def compute_atomwise_deviation_xyz(X_xyz,Y_xyz): ''' given two sets of coordinates as numpy arrays, align them and return the vector of distances between corresponding pairs of atoms''' X_prime = alignment.transform(X_xyz, Y_xyz) delta = X_pr...
maxentile/msm-learn
projects/metric-learning/weighted_rmsd.py
Python
mit
3,197
[ "MDTraj" ]
8c9c95c4e8f5ba954b5d0fe87da97c677e063abdaaa2ca6d0c8b5a90ba6455b9
#!/usr/bin/env python # (c) 2015-2018, ETH Zurich, Institut fuer Theoretische Physik # Authors: Georg Winkler, Dominik Gresch <greschd@gmx.ch> import numpy as np import scipy.linalg as la import tbmodels as tb import pymatgen as mg import pymatgen.symmetry.analyzer import symmetry_representation as sr def spin_reps...
Z2PackDev/TBmodels
examples/cmdline/symmetrization/generate_symmetries.py
Python
apache-2.0
4,636
[ "pymatgen" ]
f334e48ef8f24c3e7c4140ffb3712cb92bf060ee842d7cad68f62d0f5fe89e47