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| WAVR4 | wavr4 | Code for the calculation of spectra of floppy tetratomic molecules, such as H2O2 |
| Wannier states for optical lattices | mlgws | We provide software that given the Fourier representation of a periodic potential in one, two or three dimensions, will calculate (a) the band structure (b) the maximally localised generalised Wannier states (c) the parameters of the Hubbard models expressed in terms of these states. The software runs within MATLAB.
The software is being developed in the group of Prof. Dieter Jaksch at the University in Oxford. |
| UKRmol-out | ukrmol-out | Re-engineering of the outer region programs in the UK molecular R-matrix suites in order to improve efficiency and increase the variety of targets and processes that can be studied. Part of UK-RAMP. |
| UKRMol-in | ukrmol-in | Re-engineering of the inner region programs in the UK molecular R-matrix suites in order to improve efficiency and increase the variety of targets and processes that can be studied. Part of UK-RAMP. |
| THOR QA development | thor | Development of the THOR CFD code |
| Thor 3D | thor3d | A parallel 3D CFD code |
| The Parallel Finite Element Library | parfel | The Parallel Finite Element Library is a library of programs and subroutine for developing finite element based applications. |
| The Finite Element Library | felib | The Finite Element Library is a collection of programs and subroutines for prototyping finite element based applications. |
| Test Framework for CCP4 | ccp4-test-sys | Test framework and data for CCP4, for the use of external developers. |
| Tensor Network Theory Library | tntlibrary | The Tensor Network Theory (TNT) library contains optimised tensor operations for use in TNT-based algorithms for the simulation of strongly correlated quantum systems. |
| Template Project | template | Project to house templates used to build other projects |
| Software Engineering Support Programme | sesp | The Software Engineering Support Programme (SESP) is an EPSRC support activity to provide and encourage the use of up-to-date software engineering techniques and tools in software development within computational science and engineering. |
| SkyNet | skynet | SkyNet is an efficient and robust neural network training code for machine learning. It is able to train large and deep feed-forward neural networks, including autoencoders, for use in a wide range of supervised and unsupervised learning applications, such as regression, classification, density estimation, clustering and dimensionality reduction. SkyNet is implemented in C/C++ and fully parallelised using MPI. |
| SIC-LSD | sic-lsd | Development of the Self-Interaction-Corrected Local Spin Density (SIC-LSD) Approximation codes for correlated d- and f- electron systems. |
| Sheffield Advanced Code for MHD | sac | The Sheffield Advanced Code (SAC) is a novel fully non-linear MHD code, designed for simulations of linear and non-linear wave propagation in gravitationally strongly stratified magnetised plasma.
Ref. http://adsabs.harvard.edu/abs/2008A%26A...486..655S |
| QSGW | qsgw | Quasi-particle self-consistent GW |
| QA mkmf | qamkmf | QA mkmf is a tool to produce shell scripts that can run some of the SESP QA tools given Fortran source files. Some of the existing tools can't sort out dependencies for themselves so this tool will do it for them. |
| pyHAWKS | pyhawks | A suite of programs for accessing the HITTAN molecular database, uploading to a MySQL database, and online tools for searching it. |
| POLYATOMICS | polyatomics | Code for the calculation of rovibrational spectra of polyatomic molecules with up to 10 atoms |
| PiMS Documentation | pims-docs | User documentation for PiMS, and other published material about PiMS. |
| PDE-MIN | pde-min | Our project is to provide software to solve the
problem of minimizing a given functional where
the functions involved are required to satisfy
one or more linear or nonlinear (partial) differential
equations and other subsidiary constraints. |
| NAGWare | nagware | NAGWare is a set of software engineering tools for processing and analysing Fortran 77 and Fortran 95 programs. |
| MultiNest | multinest | MultiNest is a Bayesian inference tool for efficient Bayesian analysis of highly complex probability distributions. |
| MrBUMP - Automated Molecular Replacement | mrbump | MrBUMP is an automation framework for carrying out the molecular replacement step in protein structure solution from crystallographic X-ray experimental data. |
| Moldy | moldy | Moldy is a general purpose molecular dynamics simulation code based on pair potentials. The aims are simplicity, ease of use and extensibility. |
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