https://github.com/njzjz/car2lammpsdata

Convert car generated by Material Studio to lammps data file.
https://github.com/njzjz/car2lammpsdata

Last synced: about 2 months ago
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Convert car generated by Material Studio to lammps data file.

• Host: GitHub
• URL: https://github.com/njzjz/car2lammpsdata
• Owner: njzjz
• Created: 2019-05-13T07:23:18.000Z (over 5 years ago)
• Default Branch: master
• Last Pushed: 2024-06-02T14:42:04.000Z (7 months ago)
• Last Synced: 2024-10-13T16:46:52.239Z (2 months ago)
• Language: Python
• Size: 4.88 KB
• Stars: 6
• Watchers: 4
• Forks: 1
• Open Issues: 1
• Metadata Files:
  • Readme: README.md

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README

        
# car2lammpsdata

Convert car generated by Material Studio to lammps data file.

## Installation

```sh

pip install car2lammpsdata

```

## Usage

Convert `methane.car` to `methane.data`:

```sh

car2lammpsdata -i methane.car -o methane.data -a C H O --atom-style=atomic

```

See help from

```sh

car2lammpsdata -h

```