VoltLabs Research
Popular repositories Loading
-
CoreToolkit
CoreToolkit PublicCore C++ library providing math primitives (Vector3, Matrix3, Quaternion), spatial data structures (KD-trees, octrees), simulation cell handling, and parallel algorithms for molecular dynamics anal…
C++
-
AtomicStrain
AtomicStrain PublicComputes per-atom strain tensors from atomic configurations. Calculates Green-Lagrangian strain, von Mises strain, and principal strains for deformation analysis in molecular dynamics simulations.
C++
-
CentrosymmetryParameter
CentrosymmetryParameter PublicCalculates the centrosymmetry parameter (CSP) for each atom to detect point defects, surfaces, and dislocation cores. Useful for visualizing crystal defects in FCC and BCC metals.
C++
-
ClusterAnalysis
ClusterAnalysis PublicGroups particles into clusters based on distance cutoff or bond topology. Identifies connected components, computes cluster sizes, centers of mass, and gyration tensors .
C++
-
CoordinationAnalysis
CoordinationAnalysis PublicComputes coordination numbers and nearest neighbor statistics for each atom. Analyzes local atomic environments and detects under/over-coordinated atoms indicating defects.
C++
Repositories
- Volt Public
The first web-based and open-source real-time collaborative platform for advanced atomistic simulation tools.
VoltLabs-Research/Volt’s past year of commit activity - StructureIdentification Public
Algorithms for crystal structure identification in atomistic simulations. Classifies atoms by local structural environment to detect BCC, FCC, HCP, diamond cubic, and other crystal structures. Distinguishes crystalline atoms from defects, surfaces, and disordered regions
VoltLabs-Research/StructureIdentification’s past year of commit activity - OpenDXA Public
A modified DXA! Supports multiple structure identification methods including PTM, CNA, and Diamond structure analysis. Identifies dislocation lines, computes Burgers vectors, constructs dislocation networks, and exports results for visualization.
VoltLabs-Research/OpenDXA’s past year of commit activity - GrainSegmentation Public
Algorithms for detects and segments grain boundaries in polycrystalline materials. Identifies individual grains, computes grain orientations, and extracts grain boundary networks from atomistic simulations.
VoltLabs-Research/GrainSegmentation’s past year of commit activity - ElasticStrain Public
Computes elastic strain tensors by mapping local atomic environments to reference crystal structures. Separates elastic from plastic deformation and calculates strain fields around dislocations.
VoltLabs-Research/ElasticStrain’s past year of commit activity - DisplacementsAnalysis Public
Calculates atomic displacement vectors between reference and deformed configurations. Tracks atom movements, identifies displaced atoms, and computes displacement magnitudes for diffusion analysis.
VoltLabs-Research/DisplacementsAnalysis’s past year of commit activity - CoordinationAnalysis Public
Computes coordination numbers and nearest neighbor statistics for each atom. Analyzes local atomic environments and detects under/over-coordinated atoms indicating defects.
VoltLabs-Research/CoordinationAnalysis’s past year of commit activity - ClusterAnalysis Public
Groups particles into clusters based on distance cutoff or bond topology. Identifies connected components, computes cluster sizes, centers of mass, and gyration tensors .
VoltLabs-Research/ClusterAnalysis’s past year of commit activity - CentrosymmetryParameter Public
Calculates the centrosymmetry parameter (CSP) for each atom to detect point defects, surfaces, and dislocation cores. Useful for visualizing crystal defects in FCC and BCC metals.
VoltLabs-Research/CentrosymmetryParameter’s past year of commit activity - AtomicStrain Public
Computes per-atom strain tensors from atomic configurations. Calculates Green-Lagrangian strain, von Mises strain, and principal strains for deformation analysis in molecular dynamics simulations.
VoltLabs-Research/AtomicStrain’s past year of commit activity
Top languages
Loading…
Most used topics
Loading…