mdsuite.utils package¶
Subpackages¶
Submodules¶
- mdsuite.utils.calculator_helper_methods module
- mdsuite.utils.config module
- mdsuite.utils.constants module
- mdsuite.utils.database module
- mdsuite.utils.exceptions module
- mdsuite.utils.helpers module
- mdsuite.utils.linalg module
- mdsuite.utils.meta_functions module
- License
- Contact Information
- Citation
- Summary
apply_savgol_filter()check_a_in_b()closest_point()find_item()get_dimensionality()get_machine_properties()get_nearest_divisor()golden_section_search()gpu_available()is_jsonable()join_path()line_counter()linear_fitting_function()optimize_batch_size()simple_file_read()sort_array_by_column()split_array()timeit()
- mdsuite.utils.molecule module
- mdsuite.utils.neighbour_list module
- mdsuite.utils.report_computer_characteristics module
- mdsuite.utils.scale_functions module
- mdsuite.utils.testing module
- mdsuite.utils.units module
Module contents¶
MDSuite: A Zincwarecode package.
License¶
This program and the accompanying materials are made available under the terms of the Eclipse Public License v2.0 which accompanies this distribution, and is available at https://www.eclipse.org/legal/epl-v20.html
SPDX-License-Identifier: EPL-2.0
Copyright Contributors to the Zincwarecode Project.
Contact Information¶
email: zincwarecode@gmail.com github: https://github.com/zincware web: https://zincwarecode.com/
Citation¶
If you use this module please cite us with:
Summary¶
- class mdsuite.utils.Colour[source]¶
Bases:
objectCollection of colours that are used by MDSuite.
Names generated by https://www.htmlcsscolor.com
- MULBERRY = '#BC5090'¶
- ORANGE = '#BC5090'¶
- PAUA = '#2E294E'¶
- PRUSSIAN_BLUE = '#003F5C'¶