Statements (115)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
molecular dynamics software
|
| gptkbp:application |
molecular dynamics simulation
materials modeling coarse-grained modeling biomolecular simulation atomistic simulation |
| gptkbp:citation |
S. Plimpton, J. Comp. Phys., 117, 1-19 (1995)
|
| gptkbp:developer |
gptkb:Sandia_National_Laboratories
|
| gptkbp:feature |
modular design
open source integration with Python large-scale simulation extensible with packages support for DPD support for Ewald summation support for Monte Carlo methods support for NEB calculations support for PPPM support for atomistic models support for biomolecules support for coarse-grained models support for constraints support for custom potentials support for energy minimization support for fix addforce support for fix ave/atom support for fix ave/correlate support for fix ave/histo support for fix ave/spatial support for fix ave/time support for fix aveforce support for fix bond/break support for fix bond/create support for fix brownian support for fix deform support for fix deposit support for fix evaporate support for fix gcmc support for fix heat support for fix indent support for fix langevin support for fix momentum support for fix move support for fix npt support for fix nve support for fix nvt support for fix orient/fcc support for fix orient/random support for fix print support for fix property/atom support for fix property/global support for fix restrain support for fix rigid support for fix setforce support for fix shake support for fix spring support for fix spring/self support for fix store/state support for fix temp/berendsen support for fix temp/csvr support for fix temp/rescale support for fix ttm support for fix viscous support for fix wall/gran support for fix wall/harmonic support for fix wall/lj1043 support for fix wall/lj1206 support for fix wall/lj1210 support for fix wall/lj126 support for fix wall/lj93 support for fix wall/reflect support for fix wall/region support for granular materials support for hybrid simulations support for long-range electrostatics support for many force fields support for metals support for multi-scale modeling support for polymers support for reactive force fields support for replica exchange support for rigid bodies support for thermostats and barostats support for user-defined angle styles support for user-defined atom styles support for user-defined bond styles support for user-defined computes support for user-defined dihedral styles support for user-defined fixes support for user-defined fixes and computes support for user-defined improper styles support for user-defined kspace styles support for user-defined many-body potentials support for user-defined pair potentials support for user-defined pair styles |
| gptkbp:firstReleased |
1995
|
| gptkbp:format |
LAMMPS dump file
LAMMPS input script |
| https://www.w3.org/2000/01/rdf-schema#label |
LAMMPS
|
| gptkbp:license |
GPL-2.0-or-later
|
| gptkbp:operatingSystem |
Cross-platform
|
| gptkbp:programmingLanguage |
gptkb:C++
|
| gptkbp:repository |
https://github.com/lammps/lammps
|
| gptkbp:supports |
gptkb:MPI
parallel computing GPU acceleration |
| gptkbp:usedBy |
gptkb:engineer
chemists materials scientists physicists |
| gptkbp:website |
https://lammps.sandia.gov/
|
| gptkbp:bfsParent |
gptkb:Molecular_dynamics
gptkb:Azure_HC-series_VMs gptkb:ReaxFF_force_field |
| gptkbp:bfsLayer |
6
|