Cargo Features
lammps-sys has no features set by default.
[dependencies]
lammps-sys = { version = "0.6.0", features = ["user-misc", "user-omp", "exceptions", "mpi", "package-asphere", "package-colloid", "package-coreshell", "package-granular", "package-kspace", "package-mc", "package-molecule", "package-opt", "package-python", "package-replica", "package-snap", "package-user-atc", "package-user-bocs", "package-user-cgsdk", "package-user-diffraction", "package-user-drude", "package-user-fep", "package-user-intel", "package-user-mgpt", "package-user-misc", "package-user-meamc", "package-user-mofff", "package-user-netcdf", "package-user-omp", "package-user-qmmm", "package-user-quip", "package-user-smd", "package-user-sph", "package-user-uef", "package-user-vtk"] }
- user-misc = package-user-misc
-
-----------------------------
Deprecated; now just aliases - user-omp = package-user-omp
- exceptions
-
Additional bindings
Causes Lammps to throw exceptions rather than abort, by defining the C preprocessor macro
LAMMPS_EXCEPTIONS
.Exposes the following additional bindings:
lammps_has_error
lammps_get_last_error_message
- mpi = mpi-sys
-
Links against the system implementation of MPI.
Exposes the following additional bindings:
lammps_open
- package-asphere
-
Package flags
Each of the following features corresponds to one of Lammps' optional packages, detailed on https://lammps.sandia.gov/doc/Packages.html.
See README.md for more info.
- package-body package-class2 package-colloid
- package-compress package-coreshell
- package-dipole package-gpu package-granular
- package-kim package-kokkos package-kspace
- package-latte package-manybody package-mc
- package-meam package-misc package-molecule
- package-mpiio package-mscg package-opt
- package-peri package-poems package-python
- package-qeq package-reax package-replica
- package-rigid package-shock package-snap
- package-srd package-voronoi package-user-atc
- package-user-awpmd package-user-bocs
- package-user-cgdna package-user-cgsdk
- package-user-colvars package-user-diffraction
- package-user-dpd package-user-drude
- package-user-eff package-user-fep
- package-user-h5md package-user-intel
- package-user-lb package-user-mgpt
- package-user-misc user-misc?
- package-user-manifold package-user-meamc
- package-user-meso package-user-mofff
- package-user-molfile package-user-netcdf
- package-user-omp user-omp?
- package-user-phonon package-user-qmmm
- package-user-qtb package-user-quip
- package-user-reaxc package-user-smd
- package-user-smtbq package-user-sph
- package-user-tally package-user-uef
- package-user-vtk
Features from optional dependencies
In crates that don't use the dep:
syntax, optional dependencies automatically become Cargo features. These features may have been created by mistake, and this functionality may be removed in the future.
- mpi-sys mpi?
-
Enables mpi-sys ^0.1.2