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SoundForCp-0.0.2


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توضیحات

A software package for calculating specific heat capacity based on sound velocity method.
ویژگی مقدار
سیستم عامل OS Independent
نام فایل SoundForCp-0.0.2
نام SoundForCp
نسخه کتابخانه 0.0.2
نگهدارنده []
ایمیل نگهدارنده []
نویسنده JunPei-China
ایمیل نویسنده Jun_Pei@163.com
آدرس صفحه اصلی https://github.com/JunPei-China/SoundForCp
آدرس اینترنتی https://pypi.org/project/SoundForCp/
مجوز -
# SoundForCp `SoundForCp` is a software package for calculating specific heat capacity based on sound velocity method. A detailed description is available in xxxx. ## Requirement `SoundForCp` requires Python 3 and several third-party libraries that are used by SoundForCp. - Numpy \- The fundamental package for scientific computing with Python. (>=1.20) - Scipy \- Fundamental algorithms for scientific computing in Python for scientific computing with Python. (>=1.7) - PyYaml \- A full-featured [YAML](http://yaml.org/) framework for the Python programming language.(>=6.0) - Python (>=3.6) As an example, on Ubuntu Linux some of the required software can be installed using ```bash sudo apt-get install python3 python3-numpy python3-scipy python3-yaml ``` Before you go any further, make sure you have Python and that the expected version is available from your command line. You can check this by running: Unix/MacOS: ``` python3 --version ``` Windows: ``` py --version ``` You should get some output like `Python 3.6.3`. If you do not have Python, please install the latest 3.x version from [python.org](https://www.python.org/) or refer to the [Installing Python](https://docs.python-guide.org/starting/installation/#installation) section of the Hitchhiker’s Guide to Python. We recommend to use [PyPI](https://pypi.org/) which allows to conveniently install SoundForCp and all its software dependencies with a single command. you’ll need to make sure you have [pip](https://packaging.python.org/en/latest/key_projects/#pip) available. You can check this by running: Unix/MacOS: ``` python3 -m pip --version ``` Windows: ``` py -m pip --version ``` If you installed Python from source, with an installer from [python.org](https://www.python.org/), or via [Homebrew](https://brew.sh/) you should already have pip. If you’re on Linux and installed using your OS package manager, you may have to install pip separately, see [Installing pip/setuptools/wheel with Linux Package Managers](https://packaging.python.org/en/latest/guides/installing-using-linux-tools/). If `pip` isn’t already installed, then first try to bootstrap it from the standard library: Unix/MacOS: ``` python3 -m ensurepip --default-pip ``` Windows: ``` python3 -m ensurepip --default-pip ``` To install the remaining packages see the installation instructions at their respective web pages. ## Installation The preferred method is to use `pip` command to install from the PyPi official/mirrors site. ``` pip install SoundForCp ``` SounfForCp can be then started from a terminal (e.g. “Anaconda Prompt” on Windows) by executing the “SoundForCp” program. If you don’t use `pip` or prefer to install from sources, make sure the required software is all in place and run: ``` python setup.py install ``` By default the files are installed to standard system directories, which may require the use of `sudo` for write privileges. If administrator (root) access is not available, see the output from `python setup.py install --help` for options to install as a regular user to user-writable locations. Note that installation to non-standard directories may require adjustments to the PATH and PYTHONPATH environment variables. ## Using SoundForCp can be then started from a terminal (“Anaconda Prompt” on Windows) by executing the “SoundForCp.exe” program. An alternative method on Windows is to start SoundForCp through double-click the executable program “SoundForCP.exe”. Before running SoundForCp, a input file, named as `input.yaml` should have been prepared in a certain folder `xxxx`. `Input.yaml` follows the rule of [YAML language](https://yaml.org/spec/1.2.2/#chapter-2-language-overview). `input.yaml` contains `SoundForCp` settings which are summarized at setting tags. ```bash cd xxxx SoundForCp.exe ``` after running successfully, there is an output file named as “out.csv” written in the same folder. ## Setting tags ### Basic tags #### `Sample_Name` `Sample_Name` represents the sample name. #### `Longitudinal_Sound_Velocity` `Longitudinal_Sound_Velocity` represents the longitudinal Sound velocity of the specific sample. The unit is m/s. #### `Transverse_Sound_Velocity` `Transverse_Sound_Velocity` represents the transverse Sound velocity of the specific sample. The unit is m/s. #### `Sample_Density` `Sample_Density` represents the density of the specific sample, which can be measured by Archimedes method. The unit is g/cm3. #### `Number_Atoms` `Number_Atoms` represents the atom numbers per unit cell for the specific sample. #### `Volume_Cell` `Volume_Cell` represents the lattice volume per unit cell for the specific sample. The unit is A^3. #### `Temperature` `Temperature` represents the calculated temperature range for the specific sample. there are 3 sub-tags, i.e. `Start_Temperature`. `End_Temperature`, `Interval_Temperature`. The unit is K. #### `Relative_Atomic_Mass` `Relative_Atomic_Mass` represents relative atomic mass for molecular formula. The unit is g/mol. #### `Atomic_Mole_Quantity` `Relative_Atomic_Mass` represents relative mole quantity for molecular formula. ### Required tags #### `Elastic_Constants_Condition` `Elastic_Constants_Condition` represent elastic constants C12 equal C44 or not. `Elastic_Constants_Condition`=2 represents non-preferred orientation polycrystals. `Elastic_Constants_Condition`=1 represents C12=C44. For cubic phase, C12 is equal to C44 in preferred-oritention polycrystals or single crystal. For non cubic phase, C12 is unequal to C44 in preferred-oritention polycrystals or single crystal. ## Optional tags #### `Adiabatic_Bulk_Modulus` `Adiabatic_Bulk_Modulus` represents the adiabatic bulk modulus for the specific sample. It can also be calculated by sound velocity method. The unit is GPa. #### `Linear_Expansion_Coefficient` `Linear_Expansion_Coefficient` represents the linear expansion coefficient for the specific sample. It can also be calculated by sound velocity method. The unit is 1/K. #### `Debye_Temperature` `Debye_Temperature` represents the Debye temperature for the specific sample. It can also be calculated by sound velocity method. The unit is K. #### `Poisson_Ratio` `Poisson_Ratio` represents the Poisson ratio for the specific sample. It can also be calculated by sound velocity method. The unit is dimensionless. #### `Gruneisen_Constant` `Gruneisen_Constant` represents the Gruneisen constant for the specific sample. It can also be calculated by sound velocity method. The unit is dimensionless. ## Development PDFgui is an open-source software available on GitHub https://github.com/JunPei-China/SoundForCp. Feel free to fork the project and contribute. ## Contacts For more information on SoundForCp please visit the project web-page or email Dr. Jun Pei at Jun_Pei@163.com.


نیازمندی

مقدار نام
>=1.20 numpy
>=1.7 scipy
>=6.0 PyYaml


زبان مورد نیاز

مقدار نام
>=3.6 Python


نحوه نصب


نصب پکیج whl SoundForCp-0.0.2:

    pip install SoundForCp-0.0.2.whl


نصب پکیج tar.gz SoundForCp-0.0.2:

    pip install SoundForCp-0.0.2.tar.gz