Showing 18 open source projects for "python user interface"

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  • 1
    CAMPARI

    CAMPARI

    Software for molecular simulations and trajectory analysis

    We are proud to introduce version 5 of CAMPARI. We have added a number of new features, most notably a Python interface for interpreting user-supplied code (with the help of ForPy), a novel trajectory storage standard (with the help of libpqxx/PostgreSQL), and a module for performing transition path theory. Naturally, CAMPARI continues to provide the reference implementation of the ABSINTH force field paradigm and implicit solvation model. CAMPARI is a joint package for performing...
    Downloads: 5 This Week
    Last Update:
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  • 2
    MaxFEM

    MaxFEM

    Software for electromagnetic simulation

    MaxFem is an open software package for electromagnetic simulation by using finite element methods. The package can solve problems in electrostatics, direct current, magnetostatics and eddy-currents. Since version 0.4.0, MaxFEM requires Python 3. We have moved the installers to the MaxFEM website (see below). In order to improve MaxFEM, we will require you to fill out a simple form before downloading them.
    Downloads: 3 This Week
    Last Update:
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  • 3
    PUPIL
    PUPIL (Program for User Package Interface and Linking), is a software environment that allows developers to link quickly and efficiently together multiple pieces of software in a fully automated multi-scale simulation. More specifically, it supports QM/MM MD simulations where the user might choose among any of the different MD engines and QM engines, which are connected to PUPIL as external programs through a tiny specific interface. One of the main advantages here is that the user can use most...
    Downloads: 2 This Week
    Last Update:
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  • 4
    Quantum Honeycomp

    Quantum Honeycomp

    Interactive program to calculate electronic properties in graphene

    Calculate electronic properties of graphene-like systems with a user friendly interface. The code uses the tight binding approximation and it is able to stude in a 0D, 1D and 2D geometries, orbital and magnetic fields, intrinsic and extrinsic spin-orbit coupling, sublattice imbalance, and interactions at the mean field level. The most recent version can be found in https://github.com/joselado/quantum-honeycomp Example videos https://www.youtube.com/watch?v=8gO1yRmwgAs https...
    Downloads: 0 This Week
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  • 5

    Construct2D

    COmputational fluid dyNamics STRUctured grid CreaTor for 2D airfoils

    ... in version 2.0: hyperbolic grid generation to create higher quality grids in a fraction of the time compared to elliptic grid generation. Elliptic grid generation is still available also. Smooth airfoil surface spacing is handled automatically with user-controlled clustering parameters. Also included is a visualizer written in Python with matplotlib.
    Downloads: 3 This Week
    Last Update:
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  • 6
    MieConScat
    MieConScat is a GUI/Console program for generating MIE SCATtering data as a table of cross sections. It can generate scattering cross sections over specified angular ranges and total absorption cross sections. It was initially developed to aid work with optical particle counters (OPC) especially when CONverting data between cross section and diameter space. These methods are described in Rosenberg et al. 2012, Particle sizing calibration with refractive index correction for light scattering...
    Downloads: 0 This Week
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  • 7

    f90lafg

    Diffraction related calculations in Fortran 2003

    full snapshots of CRYSFML code and parts of SXTALSOFT code
    Downloads: 0 This Week
    Last Update:
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  • 8
    graphene-like-ribbons

    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
    Downloads: 0 This Week
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  • 9

    Advanced Numerical Instruments 2D

    Advanced numerical instruments: adaptive meshing, FE methods, solvers

    Ani2D provides portable libraries for each step in the numerical solution of systems of PDEs with variable tensorial coefficients: (1) unstructured adaptive mesh generation, (2) metric-based mesh adaptation, (3) finite element discretization and interpolation, (4) algebraic solvers.
    Downloads: 1 This Week
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  • 10
    NanoCap

    NanoCap

    Carbon Fullerene and Capped Nanotube Generator

    NanoCap is a generic application for the construction of low energy fullerene and capped nanotube structures. It provides an ideal tool to accompany the study of finite carbon molecules using computer simulation. The implementation involves a standalone application which includes a GUI and allows for dynamic visual inspection through 3D rendering. In addition, the NanoCap core libraries can be used in custom Python scripts that enabled the user to produce structures in bulk or to include...
    Downloads: 0 This Week
    Last Update:
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  • 11
    Ascalaph Quantum
    is a molecular viewer & model builder for quantum chemistry programs. It has an interface with NWChem, CP2K and PC GAMESS/Firefly quantum programs. http://www.biomolecular-modeling.com/Products.html
    Downloads: 0 This Week
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  • 12
    LibCPIXE is a library for simulation of Particle Induced X-ray emission spectra.
    Downloads: 0 This Week
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  • 13
    FLENS (Flexible Library for Efficient Numerical Solutions) is a C++ library for scientific computing. It can be considered as a very convenient and --- at the same time --- extremely efficient interface for BLAS and LAPACK. But it is much more than this
    Downloads: 5 This Week
    Last Update:
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  • 14
    cca-forum
    Cca-forum unifies the Common Component Architecture tools and tutorial. It includes the CCA specifications, the Ccaffeine framework for HPC, and related tools. These support multilanguage scientific and parallel computing.
    Downloads: 0 This Week
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  • 15
    MRCWA - Multilayer Rigorous Coupled Wave Analysis is a fast, flexible optical grating solver. It calculates an exact solution to the Maxwell equations for the diffraction of light from an optical grating with arbitrary profile and materials.
    Downloads: 0 This Week
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  • 16
    BrennerMD is a public domain Fortran molecular dynamics program by Donald Brenner and other people. This project is to maintain the original source code and to build a Python interface on top of it.
    Downloads: 0 This Week
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  • 17
    This library is a Fortran 95 gnuplot interface for some Unix like OS'es. This provides some routines that enables direct access of a child gnuplot session from a Fortran 95 program. You will need a copy of fortranposix to make this work.
    Downloads: 1 This Week
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  • 18
    Simple Python class for managing tables of data in memory using NumPy. It allows to give names to views of array. The package contains few classes built on top of the basic one to be used as post processing tools for particle optics computations.
    Downloads: 0 This Week
    Last Update:
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