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Tag: C++

FastJet – software for jet finding in pp and e+e− collisions

October 15, 2023 Steve Emms Scientific

FastJet is a C++ package that provides a broad range of jet finding and analysis tools.

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LHAPDF – a general purpose C++ interpolator, used for evaluating PDFs from discretised data files

October 15, 2023 Steve Emms Scientific

LHAPDF is a general purpose C++ interpolator, used for evaluating PDFs from discretised data files.

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Chemistry

OpenMM – high-performance toolkit for molecular simulation

October 15, 2023 Steve Emms Scientific

OpenMM is a high-performance toolkit for molecular simulation. It’s written mostly in the C++ programming language.

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Chemistry

LAMMPS – classical molecular dynamics simulator

October 15, 2023 Steve Emms Scientific

LAMMPS is a classical molecular dynamics code with a focus on materials modeling. It’s written in C++ and is open source.

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Chemistry

tomviz – processing, visualization, and analysis of 3D tomographic data

October 15, 2023 Steve Emms Scientific

The Tomviz project is a cross platform, open source application for the processing, visualization, and analysis of 3D tomographic data.

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Chemistry

GROMACS – versatile package to perform molecular dynamics

October 15, 2023 Steve Emms Scientific

GROMACS is a molecular dynamics simulator, with building and analysis tools. It’s a versatile package to perform molecular dynamics.

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Chemistry

Psi4 – quantum chemistry software package

October 15, 2023 Steve Emms Scientific

Psi4 is a suite of ab initio quantum chemistry programs designed for efficient, high-accuracy simulations.

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Chemistry

MPQC – Massively Parallel Quantum Chemistry software

October 15, 2023 Steve Emms Scientific

MPQC (Massively Parallel Quantum Chemistry Program) is software that computes properties of atoms and molecules from first principles.

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Chemistry

Avogadro – advanced molecule editor and visualizer

October 15, 2023 Steve Emms Scientific

Avogadro is an advanced open source molecular editor designed for cross-platform use in computational chemistry, and other areas.

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Chemistry

Open Babel – chemical toolbox software

October 15, 2023 Steve Emms Scientific

Open Babel is a version of the Babel chemistry file translation program. Convert, analyze, or store data from molecular modeling.

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