pysrim | Automation , Analysis , and Plotting of SRIM Calculations

 by   costrouc Python Version: 0.5.10 License: MIT

kandi X-RAY | pysrim Summary

kandi X-RAY | pysrim Summary

pysrim is a Python library. pysrim has no vulnerabilities, it has build file available, it has a Permissive License and it has low support. However pysrim has 2 bugs. You can install using 'pip install pysrim' or download it from GitLab, GitHub, PyPI.

pysrim is a python package that aims to wrap and extend SRIM a popular tool for simulating ions traveling through a material. There are many pain points to SRIM and this package aims to address them. These include compatibility with all OS's, automation and crash recovery of SRIM calculations, parsing of all output files, and publication quality plots. There is now a docker image costrouc/pysrim for running pysrim and SRIM! No setup necissary and does not require a display so it is server ready. If you would like to try it run the short command below (obviously requires docker). All output files will be stored in /tmp/output for this example. Benchmarks show the docker container is around 50-60% faster. I believe this is due to using xvfb.
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            kandi-support Support

              pysrim has a low active ecosystem.
              It has 10 star(s) with 6 fork(s). There are 4 watchers for this library.
              OutlinedDot
              It had no major release in the last 12 months.
              pysrim has no issues reported. On average issues are closed in 20 days. There are no pull requests.
              It has a neutral sentiment in the developer community.
              The latest version of pysrim is 0.5.10

            kandi-Quality Quality

              pysrim has 2 bugs (0 blocker, 0 critical, 1 major, 1 minor) and 13 code smells.

            kandi-Security Security

              pysrim has no vulnerabilities reported, and its dependent libraries have no vulnerabilities reported.
              pysrim code analysis shows 0 unresolved vulnerabilities.
              There are 5 security hotspots that need review.

            kandi-License License

              pysrim is licensed under the MIT License. This license is Permissive.
              Permissive licenses have the least restrictions, and you can use them in most projects.

            kandi-Reuse Reuse

              pysrim releases are available to install and integrate.
              Deployable package is available in PyPI.
              Build file is available. You can build the component from source.
              Installation instructions, examples and code snippets are available.
              It has 1375 lines of code, 175 functions and 27 files.
              It has medium code complexity. Code complexity directly impacts maintainability of the code.

            Top functions reviewed by kandi - BETA

            kandi has reviewed pysrim and discovered the below as its top functions. This is intended to give you an instant insight into pysrim implemented functionality, and help decide if they suit your requirements.
            • Lookup an identifier
            • Lookup an atomic number
            • Lookup symbol by its name
            • Lookup a symbol by its symbol
            • Run TRIM
            • Write the input files
            • Construct a layer from a chemical formula
            • Convert a chemical formula to a dictionary
            • Width
            • Check if input value is valid
            • Copy all output files from src_directory to dest_directory
            • Construct a molecular formula from a chemical formula
            • The density of the histogram
            • The phase of the signal
            Get all kandi verified functions for this library.

            pysrim Key Features

            No Key Features are available at this moment for pysrim.

            pysrim Examples and Code Snippets

            No Code Snippets are available at this moment for pysrim.

            Community Discussions

            No Community Discussions are available at this moment for pysrim.Refer to stack overflow page for discussions.

            Community Discussions, Code Snippets contain sources that include Stack Exchange Network

            Vulnerabilities

            No vulnerabilities reported

            Install pysrim

            Installation of pysrim is easy via pip or conda. Unless you are using the docker image, you will need to install SRIM on your machine using the instructions bellow for linux, OSX, and windows.
            pip install pysrim
            conda install -c costrouc pysrim
            docker pull costrouc/pysrim

            Support

            Link to documentation on readthedocs.
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            Install
          • PyPI

            pip install pysrim

          • CLONE
          • HTTPS

            https://github.com/costrouc/pysrim.git

          • CLI

            gh repo clone costrouc/pysrim

          • sshUrl

            git@github.com:costrouc/pysrim.git

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