Search Results for "open-shell" - Page 12
Sort By:
Showing 1001 open source projects for "open-shell"
View related business solutions-
Custom VMs From 1 to 96 vCPUs With 99.95% UptimeLive migration and automatic failover keep workloads online through maintenance. One free e2-micro VM every month.
-
Gemini 3 and 200+ AI Models on One PlatformBuild generative AI apps with Vertex AI. Switch between models without switching platforms.
-
1
ANT.Gaussian
Quantum transport code based on Gaussian03/09
Atomistic NanoTransport (ANT) comprises a series of codes designed to compute electronic quantum transport with a broad range of applicability in nanoelectronics. ANT.Gaussian (or ANT.G for brevity) relies on the popular quantum chemistry code GAUSSIAN03/09 code with which interfaces in a seamless manner. Straightforwad use of ANT.G include the computation of the zero-bias conductance (or, alternatively, the electrical current under an applied bias voltage) of a variety of nanoscale systems... -
2
Qi - Quantitative Imaging (PIV and more)
A collection of MATLAB tools for PIV, PTV, particle sizing, and more.
Qi is a collection of MATLAB tools for the quantitative analysis of flow field images. Our Particle Image Velocimetry (PIV) tool, prana, implements a Robust Phase Correlation kernel for PIV analysis, and now includes Particle Tracking Velocimetry and sizing tools. Tools for pressure calculation, proper orthogonal decomposition (POD), and 3d imaging are under development. -
3
FreeFOAM is no longer maintained. Please consider using one of the official OpenFOAM distributions instead.
-
4
Bayesian Analysis: Neutron Stars, M & R
Bayesian Analysis of Neutron Star Mass and Radius Observations
A Bayesian analysis of neutron star mass and radius observations based on O2scl. -
Full-stack observability with actually useful AI | Grafana CloudBuilt on open standards like Prometheus and OpenTelemetry, Grafana Cloud includes Kubernetes Monitoring, Application Observability, Incident Response, plus the AI-powered Grafana Assistant. Get started with our generous free tier today.
-
5
FreeSOLID is a library for collision detection of three-dimensional objects undergoing rigid motion and deformation. FreeSOLID is designed to be used in interactive 3D graphics applications.
-
6
XtalCalculator is a FORTRAN source package for computing the primitive and reciprocal lattice vectors for the user defined lattice parameters viz a,b,c,alpha,beta,gamma. It also computes the real and reciprocal cells volumes in cubic angstrom and cubic bohr.
-
7
VectorAlgebra is a Mathematica-package which implements various functions for simple vector calculations in d-dimensional spaces with constant metrics.
-
8
MPI/C++ code to generate initial conditions for cosmological simulations using multiscale gaussian random fields, based on Edmund Bertschinger's GRAFIC-2 package. Provides a replacement for both grafic1 and grafic2.
-
9
-
MongoDB Atlas runs apps anywhereMongoDB Atlas gives you the freedom to build and run modern applications anywhere—across AWS, Azure, and Google Cloud. With global availability in over 115 regions, Atlas lets you deploy close to your users, meet compliance needs, and scale with confidence across any geography.
-
10
gMol
gMol molecular graphics
We've moved to https://github.com/tjod/gMol/wiki gMol is an interactive visualization system used to display and manipulate 3-dimensional models of scientific data, such as molecular structures and surfaces. It contains both OpenGL and web browser widgets that enable flexible user interfaces. -
11
Tireless Worker
Experimet automation software system
Tireless Worker will help automating experimental research. One can easily write a REXX script to automate data acquisition and equipment control. NI VISA binding is implemented, as well as RS-232 communication. -
12
ckon
automatic build tool for ROOT data analysis software
ckon is a C++ program/tool which automatically takes care of compilation, dictionary generation and linking of programs and libraries developed for data analyses within the CERN ROOT analysis framework. This includes parsing include headers to figure out which libraries the main programs need to be linked to. It uses automake/autoconf to be platform independent and GNU install compliant. In addition, m4 macros are automatically downloaded and the according compiler flags included based on a... -
13
graphene-like-ribbons
Calculate electronic properties of graphene-like nanoribbons
User friendly interface for calculating electronic properties in graphene-like ribbons. The programs uses the tight binding approximation and mean field Hubbard model to predict electronic properties of graphene-like nanoribbons. See Discussion to ask questions or details Update: New versions of this program will be known as quantum-honeycomp -
14
Gecko Hamaker
Calculates Hamaker coefficient,interaction free energy,force,torque.
The Gecko Hamaker open-source software project is a full implementation of the fully retarded Lifshitz formulations for isotropic and anisotropic plane-plane and cylinder-cylinder interactions with intervening interlayer materials, planar systems of up to 99 layers, and graded interfaces for the modeling of grain boundaries or other continuously changing systems, accompanied by a database of material optical properties spectra. -
15
Magnum Opticus
Optical Design Software
Optical design application geared to telescopes and other optical systems. Features include layout design, optimization, standard expected output, ability to import ZMX and LNS files -
16
kmatrice
kmatrice es un programa de Algebra Lineal
kmatrice es un programa dirigido a los interesados en el Algebra Lineal y las matemáticas en general, sera de gran ayuda en la comprensión y el desarrollo de las operaciones que pueden ser realizadas con los renglones y las columnas de una matriz. -
17
YAFEMS
Yet Another Finite Element Method Solver
YAFEMS (Yet Another Finite Element Method Solver) is a FEM solver for Linux and WIndows that reads a MED mesh file produced by Salome (http://www.salome-platform.org/) with certain groups created into the mesh, and with the help of an input text file (.yaf), performs a 3D or 2D plane stress or plane strain analysis and creates results in plain text format and in MED format. This way a complete analysis can be carried inside Salome, where a mesh file can be created, exported and read by... -
18
wmtsa-python
Discrete wavelet methods for time series analysis using python
Several python libraries implement discrete wavelet transforms. However, none of them, or at least none that I know, is aimed at scientific use. This library aims at filling this gap, in particular considering discrete wavelet transform as described by Percival and Walden. This module started as translation of the wmtsa Matlab toolbox (http://www.atmos.washington.edu/~wmtsa/), so most naming conventions and most of the code structure follows their choices. The code uses a mix of python and... -
19
PDSTRIP is a hydrodynamic strip code for seakeeping. It computes ship motions for monohulls including sailing boats. PDSTRIP has been abandoned by its initiators, who do not wish to be contacted with use questions. The position of maintainer is vacant.
-
20
The Moving Finite Elements project hosts a collection of simulation codes for time-dependent PDE systems that implement various forms of Keith Miller's gradient-weighted moving finite element (GWMFE) method. The Calliope sub-project aims to provide new reference implementations in modern object-oriented Fortran. Click on the Calliope tab on the main project menu bar.
-
21
-
22
Research Master
wxpython research organization tool with LaTeX flashcards
ResearchMaster is a tool that you can trust to help with organization, multitasking, and research. ResearchMaster provides a place to capture your fleeting thoughts and ideas, and it allows you to hit-the-ground-running on projects. -
23
ThermV
Comprehensive thermal analysis software package
ThermV thermal analysis software package aims to provide the most sophisticated automatic analysis of thermal analysis data (TG/DTG, DTA and DSC). It offers new algorithm for concurrent peak deconvolution at different heating rates and provides full kinetic analysis of these data, including isoconversional methods for Ea, determination of reaction model and full kinetic triplet, Avrami coefficients, and dimensionality of crystal growth for reactions in the solid state. The project is... -
24
potfit
potfit force-matching code
The potfit code uses the force-matching method to generate effective potentials from ab-initio reference data. -
25
RelKinema
Relativistic two-body kinematics calculator for nuclear reaction
Relativistic 2-body kinematics calculator for nuclear reaction, including mass data manager, result table browser and plotter.
