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172 | 172 | topic of MD simulations. LAMMPS is one such versatile molecular |
173 | 173 | simulation code, designed for modeling particle-based systems across a |
174 | 174 | broad range of materials science and computational chemistry |
175 | | - applications, including atomistic, coarse--grained, mesoscale, |
| 175 | + applications, including atomistic, coarse-grained, mesoscale, |
176 | 176 | grid-free continuum, and discrete element models. LAMMPS is capable |
177 | 177 | of efficiently running simulations of varying sizes from small desktop |
178 | 178 | computers to large-scale supercomputing environments. Its flexibility |
179 | 179 | and extensibility make it ideal for complex and extensive simulations |
180 | | - of atomic and molecular systems, and beyond. This article introduces a |
181 | | - suite of tutorials designed to make learning LAMMPS more accessible to |
182 | | - new users. The first four tutorials cover the basics of running |
183 | | - molecular simulations in LAMMPS with systems of varying complexities, |
184 | | - including a simple fluid and a carbon nanotube. The last four |
185 | | - tutorials address more advanced molecular simulation techniques, |
186 | | - specifically the use of a reactive force field, grand canonical Monte Carlo, |
187 | | - enhanced sampling, and REACTER protocol. |
188 | | - In addition, we introduce \lammpsgui{}, an enhanced graphical text |
189 | | - editor with syntax highlighting, command completion, context help, |
190 | | - plus built--in visualization and plotting facilities, and the ability |
191 | | - to run LAMMPS directly on the input file while tracking its progress. |
192 | | - \lammpsgui{} is used as the primary tool in the tutorials to edit |
193 | | - inputs, run LAMMPS, extract data, and visualize the simulated systems. |
| 180 | + of atomic and molecular systems, and beyond. This article introduces |
| 181 | + a suite of tutorials designed to make learning LAMMPS more accessible |
| 182 | + to new users. The first four tutorials cover the basics of running |
| 183 | + molecular simulations in LAMMPS with systems of varying complexities. |
| 184 | + The second four tutorials address more advanced molecular simulation |
| 185 | + techniques, specifically the use of a reactive force field, grand |
| 186 | + canonical Monte Carlo, enhanced sampling, and the REACTER protocol. |
| 187 | + In addition, we introduce \lammpsgui{}, an enhanced cross-platform |
| 188 | + graphical text editor specifically designed for use with LAMMPS and |
| 189 | + able to run LAMMPS directly on the edited input. \lammpsgui{} is used |
| 190 | + as the primary tool in the tutorials to edit inputs, run LAMMPS, |
| 191 | + extract data, and visualize the simulated systems. |
194 | 192 | \end{abstract} |
195 | 193 |
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196 | 194 | \end{frontmatter} |
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