Released:
A pure Python library designed to make it easy and quick to manipulate VASP files
An industrially supported, compiled, and tested form of VASP is part of Materials Design’s MedeA software environment. Integrated with the world’s leading structural databases, MedeA offers VASP users a comprehensive software platform for large-scale computational materials science. The VASP user-specific input and output files for these 'blessed' tasks can be downloaded from NOMAD. NOMAD is an open material science data sharing platform following FAIR principles. Researcher can upload and download CC-BY licensed files from all important computational materials-science codes.
Project description
- Download PDF Abstract: Aquation free energy profiles of neutral cisplatin and cationic monofunctional derivatives, including triaminochloroplatinum(II) and cis-diammine(pyridine)chloroplatinum(II), were computed using state of the art thermodynamic integration, for which temperature and solvent were accounted for explicitly using density functional theory based canonical molecular dynamics.
- MedeA’s Crystal Builder Part of the standard MedeA Environment. Use MedeA’s Crystal Builder to edit and modify periodic structures retrieved from MedeA’s experimental structure databases. While this is the most convenient way of constructing a periodic structure in MedeA, you can also build crystalline systems from scratch by selecting the desired space group and adding elements at.
- Medea Vasp Download Posted on by admin Electronic structure calculations have become a powerful foundation for computational materials engineering.
Introduction
VASPy is a pure Python library designed to make it easy and quick to manipulate VASP files.
You can use VASPy to manipulate VASP files in command lins or write your own python scripts to process VASP files and visualize VASP data.
In /scripts , there are some scripts written by me for daily use.
Installation
Via pip(recommend):
Via easy_install:
From source:
If you want to use mayavi to visualize VASP data, it is recommened to install Canopy environment on your device instead of installing it manually.
After installing canopy, you can set corresponding aliases, for example:
Then you can install VASPy to canopy:
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0.8.12
Vasp Download Linux
0.8.11
0.8.10
0.8.9
0.8.7
0.8.6
0.8.5
0.8.4
Vasp Software
0.8.3
0.8.2
0.8.1
0.8.0
0.7.11
0.7.10
0.7.9
0.7.8
0.7.7
0.7.6
0.7.5
Download files
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| Filename, size | File type | Python version | Upload date | Hashes |
|---|---|---|---|---|
| Filename, size vaspy-0.8.12-py2.py3-none-any.whl (2.5 MB) | File type Wheel | Python version 3.5 | Upload date | Hashes |
| Filename, size vaspy-0.8.12.tar.gz (5.2 MB) | File type Source | Python version None | Upload date | Hashes |
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Hashes for vaspy-0.8.12.tar.gz
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