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37-48 of 66

ELECTRODE

ELECTRODE extends the atomistic simulation tool LAMMPS to model different types of electrochemical situations. Simulations are performed at constant potential or constant charge using different approaches to control potential or charge at the electrodes.

Constant Potential Method
Electrochemistry
Molecular Dynamics

C++
Tcl
Cuda
+ 24

simona

This package implements infrastructures for ontology analysis by offering efficient data structures, fast ontology traversal methods, and elegant visualizations. It provides a robust toolbox supporting over 70 methods for semantic similarity analysis.

Data analysis
Data Visualization
FAIR Data
+ 3

R
C++
JavaScript
+ 3

SMG2S

SMG2S (Sparse Matrix Generator with Given Spectrum) is able to generate large-scale non-Hermitian and non-Symmetric matrices in parallel with the spectral distribution functions or eigenvalues given by users, and the spectrum of generated matrix is the same as the one specified by the users.

CPU
High performance computing
Matrix Computation
+ 1

C++
Python
CMake
+ 1

cnpy++

cnpy++ is a C++17 library that allows to read and write NumPy data files (.npy and .npz). It is designed in a way to integrate well into the modern C++ ecosystem and it provides features not available in any similar C++/npy library.

data managment

C++
CMake
C

mallocMC

This project provides a framework for fast memory managers on many core accelerators. It is based on alpaka to run on many different accelerators and implements the ScatterAlloc algorithm.

CUDA
heterogeneous computing
High performance computing
+ 2

C++
CMake
Cuda
+ 1

2x2, 3x3 and nxn Space-Filling Curves

Implementation of all possible forms of 2x2 and 3x3 space-filling curves, and nxn curves expanded from any specific level-1 units. It also implements the H-curve and the three-dimensional Hilbert curve.

Data analysis
Data Visualization
open source

Arbor

Arbor is a high-performance library for computational neuroscience simulations with multi-compartment, morphologically-detailed cells, from single cell models to very large networks. Arbor is written from the ground up to help neuroscientists effectively use contemporary and future HPC systems.

GPU
High performance computing
Neural network
+ 4

C++
AGS Script
Python
+ 7

cuda_memtest

Tests GPU memory for hardware errors and soft errors using NVIDIA's CUDA or AMD's HIP.

C++
CUDA
High performance computing
+ 1

C++
CMake
C
+ 1

easyWave

easyWave-GPU computes tsunami wave propagations in a fraction of minute on GPU-powered machines. Thus , a single simulation, or several simulations with varying granularity, covering several hours of tsunami wave propagation, and tailored to the actual situation can be computed within seconds.

early warning
Earth & Environment
tsunami forecasting

C++
Cuda
Python
+ 2

FESOM

FESOM (Finite-Element/volumE Sea ice-Ocean Model) is a multi-resolution sea ice-ocean model that solves the equations of motion on unstructured meshes.

climate modelling
Earth & Environment
exascale
+ 5

Fortran
Jupyter Notebook
C
+ 9

FLEUR

FLEUR is a feature-full, freely available FLAPW (full-potential linearized augmented-plane-wave) code, based on density-functional theory. This highly precise all-electron approach is universally applicable to all atoms of the periodic table and to systems with compact as well as open structures.

DFT
High performance computing
hpc
+ 3

Fortran Free Form
C
Motorola 68K Assembly
+ 2

GMGPolar

GMGPolar is a geometric multigrid solver using implicit extrapolation to raise the convergence order. It is based on meshes in tensor- or product-format. GMGPolar's focus applications are geometries that can be described by polar or curvilinear coordinates for which suited smoothing is available.

Energy
Geometric Multigrid
High performance computing
+ 5

C++
Python
Shell
+ 3