lammps-cython | Lammps wrapper with cython interface

by costrouc Python Version: 0.6.2 License: MIT

X-Ray Key Features Code Snippets(2)Community Discussions(1)Vulnerabilities Install Support

kandi X-RAY | lammps-cython Summary

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

Lammps wrapper with cython interface. High performance, MPI, and interactive.

Support

Quality

Security

License

Reuse

Support

lammps-cython has a low active ecosystem.

It has 5 star(s) with 3 fork(s). There are 1 watchers for this library.

It had no major release in the last 12 months.

lammps-cython has no issues reported. On average issues are closed in 21 days. There are no pull requests.

It has a neutral sentiment in the developer community.

The latest version of lammps-cython is 0.6.2

Quality

lammps-cython has 0 bugs and 0 code smells.

Security

lammps-cython has no vulnerabilities reported, and its dependent libraries have no vulnerabilities reported.

lammps-cython code analysis shows 0 unresolved vulnerabilities.

There are 0 security hotspots that need review.

License

lammps-cython is licensed under the MIT License. This license is Permissive.

Permissive licenses have the least restrictions, and you can use them in most projects.

Reuse

lammps-cython releases are not available. You will need to build from source code and install.

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 616 lines of code, 58 functions and 16 files.

It has high code complexity. Code complexity directly impacts maintainability of the code.

Top functions reviewed by kandi - BETA

kandi has reviewed lammps-cython and discovered the below as its top functions. This is intended to give you an instant insight into lammps-cython implemented functionality, and help decide if they suit your requirements.

Write a table pair of potentials .
Run mammps .
Convert a list of parameters into a Stinger JWT .
Compute T2ff potential .
Create a string representing the gaussian potential .
Compute a combined combination potential .
Compute vashishta potential .
Compute the combined combination potential .
Main entry point .

Get all kandi verified functions for this library.

lammps-cython Key Features

No Key Features are available at this moment for lammps-cython.

lammps-cython Examples and Code Snippets

Installation

Python

Lines of Code : 12

License : Permissive (MIT)

Copy

[lammps]
lammps_include_dir = /usr/local/include/lammps/
lammps_library_dir = /usr/local/lib/
# true library filename is liblammps.so notice lib and .so are removed
lammps_library = lammps

# use mpic++ -showme to list libraries and includes
[mpi]
mp

Features

Python

Lines of Code : 3

License : Permissive (MIT)

Copy

from lammps import Lammps
import sys
Lammps(args=sys.args)

Community Discussions

Trending Discussions on lammps-cython

Exception: ERROR: Unrecognized fix style 'shake' is part of the RIGID package which is not enabled in this LAM

QUESTION

Exception: ERROR: Unrecognized fix style 'shake' is part of the RIGID package which is not enabled in this LAM

Asked 2022-Feb-19 at 16:19

I'm trying to run a LAMMPS script in a Colab environment. However, whenever I try to use the fix command with arguments from the RIGID package the console gives me the same error.

I tested different installation and build methods, such as through apt repository and CMAKE:

Method 1

...

ANSWER

Answered 2022-Feb-19 at 16:19

You need to enable the RIGID package. For better flexibility on LAMMPS features it is better to build it from source code:

Download the latest stable version, and change the directory into it

Source https://stackoverflow.com/questions/70114670

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

Vulnerabilities

No vulnerabilities reported

Install lammps-cython

lammps-cython has several options for installation. The easiest way is using the provided docker containter image costrouc/lammps-cython or conda install.There is no plan to support pip wheels. Other methods require manual installation of lammps. Detailed installation are provieded in the documentation. If you have any issues with installation be submit an issue at the github repository.
conda: conda install -c costrouc -c conda-forge lammps-cython
docker: docker pull costrouc/lammps-cython:latest