Search Results for "spin"

...Version 2 modernizes the stack with a cleaner core package and breaking changes relative to V1, focusing on simpler installs and a stable API surface for production and research. The centerpiece models (e.g., UMA variants) plug directly into the ASE ecosystem via a FAIRChem calculator, so users can run relaxations, molecular dynamics, spin-state energetics, and surface catalysis workflows with the same pretrained network by switching a task flag. Tasks span heterogeneous domains—catalysis (OC20-style), inorganic materials (OMat), molecules (OMol), MOFs (ODAC), and molecular crystals (OMC)—allowing one model family to serve many simulations. The README provides quick paths for pulling models (e.g., via Hugging Face access), then running energy/force predictions on GPU or CPU.

Create a sun, spin some asteroids around it, and watch them collide and form planets. An N-Point Gravity Simulator is a realistic simulation in which all points attract each other: even the smallest asteroid has its own gravitational field that can affect even a large sun far away from it. Can be reused as a library for making games. If used as library, license is GNU LGPLv3, otherwise it's GNU GPLv3.

Data evaluation tool for the magnetism reflectometer at the spallation neutron source (BL-4A@SNS). Reads raw nexus files (HDF5) of histogrammed or event mode data to create reflectivity curves and 2D Q-maps.

SEG-Y files need special compression because they don't compress well using gzip and the like. The code is cross-platform C++ using nothing else than standard system libraries. This is a spin-off from the OpendTect project (http://opendtect.org).

Integration routine to be employed in evaluation of high dimensional integrals arising from problems in statistical mechanics, more specifically the partition function of classical Heisenberg spin-chains, and its resulting derivatives.

BlochLib is an expression template library of generic data structures and algorithms to perform large scale nuclear magnetic resonance classical and quantum mechanical spin simulations, with many I/O capabilities,and integrated numerical routines.