Search Results for "lammps"
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3 projects for "lammps" with 1 filter applied:
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ERmod
Approximate solvation free energy calculator
...The program allows users to calculate the solvation free energy to arbitrary solvents, including inhomogeneous systems, and can run in cooperation with state-of-art molecular simulation software, such as LAMMPS, GROMACS and/or AMBER. -
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A mechanical coupled QM/MM approach developed in C++. The current software is compatible with VASP, TB, Xmd, Paradyn, LAMMPS and Quantum Espresso.
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This project aims at providing a user package for the molecular dynamics software LAMMPS, which allows the complete simulation to run on a GPU. Additional information and svn access to "bleeding etch" code can be found on the project website below.
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