Search Results for "code framework"

...In addition to the pure advection code several source terms have been implemented including viscous diffusion and gravitational acceleration. Fosite is written with object-oriented patterns in Fortran 2003 and follows the Structure of Arrays (SoA) layout, operating on generic field datatypes. This allows for high performance on modern architectures (SIMD). It is parallelized and vectorized.

...The data treatment includes non-linear fitting, integration and differentiation, peak-finder and more. User python code can be executed in the integrated IPython console.

CIF2Cell is a tool to generate the geometrical setup for various electronic structure codes from a CIF (Crystallographic Information Framework) file. The program currently supports output for a number of popular electronic structure programs, including ABINIT, ASE, CASTEP, CP2K, CPMD, CRYSTAL09, Elk, EMTO, Exciting, Fleur, FHI-aims, Hutsepot, MOPAC, Quantum Espresso, RSPt, Siesta, SPR-KKR, VASP. Also exports some related formats like .coo, .cfg and .xyz-files. The program has been published...

...The software is implemented in Python and aims to be easily integrated with user-defined measurement and control code.