Topic: "aimd"
SPARC-X/SPARC
Simulation Package for Ab-initio Real-space Calculations
Language: C - Size: 53.8 MB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 78 - Forks: 39
microsoft/LightAIMD
A lightweight ab initio molecular dynamics simulation program
Language: C - Size: 342 KB - Last synced at: 3 days ago - Pushed at: about 1 year ago - Stars: 43 - Forks: 10
initqp/somd
Molecular dynamics package designed for the SIESTA DFT code.
Language: Python - Size: 3.41 MB - Last synced at: 21 days ago - Pushed at: about 2 months ago - Stars: 14 - Forks: 2
jcwang587/xdatbus
A Python package for enhancing VASP AIMD simulations and analysis
Language: Python - Size: 42 MB - Last synced at: 4 days ago - Pushed at: 24 days ago - Stars: 12 - Forks: 2
luzihen/AIMD_Toolkit
This a toolkit repository to read, and analysis ab initio molecular dynamics simulations
Language: MATLAB - Size: 153 KB - Last synced at: over 1 year ago - Pushed at: about 4 years ago - Stars: 9 - Forks: 5
tongzhugroup/aimdfragmentation
A automated fragmentation method for Ab Initio Molecular Dynamics (AIMD).
Language: Python - Size: 129 KB - Last synced at: 21 days ago - Pushed at: about 1 year ago - Stars: 8 - Forks: 6
Nick12-hub/VASP-AIMD-NVT-Calculation
Size: 3.91 KB - Last synced at: almost 2 years ago - Pushed at: over 3 years ago - Stars: 4 - Forks: 0
initqp/somd_tutorials
Tutorials for the SOMD code.
Language: Python - Size: 3.28 MB - Last synced at: almost 2 years ago - Pushed at: almost 2 years ago - Stars: 3 - Forks: 0
makasim/backpressure
Language: Go - Size: 54.7 KB - Last synced at: 12 days ago - Pushed at: over 2 years ago - Stars: 2 - Forks: 0
GiBg1aN/TCP-Simulator 📦
A simple simulator of different implementations of TCP Protocol
Language: Java - Size: 6.51 MB - Last synced at: about 2 years ago - Pushed at: almost 8 years ago - Stars: 1 - Forks: 0
SiddharthPandey23/sparc
Official codebase of SpaRC
Size: 449 KB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 0 - Forks: 0
mandal13/TaON_100_Water
Input files and the coordinate file (in XYZ format) for simulating the β-TaON (100)/Water interface, as studied in the paper "Molecular Insights into the Water Dissociation and Proton Dynamics at the β-TaON (100)/Water Interface."
Size: 549 KB - Last synced at: about 2 months ago - Pushed at: about 2 months ago - Stars: 0 - Forks: 0
xjhsafeguards/analysis_toolkits
Analysis_Toolkits for molecular dynamic (MD) trajectories.
Language: Python - Size: 12.7 KB - Last synced at: about 1 year ago - Pushed at: about 1 year ago - Stars: 0 - Forks: 0
