Deprecated#
Features deprecated in v3.x may be removed in a future v4.0.0 release.
HOOMD may issue FutureWarning
messages to provide warnings for breaking changes in the next major
release. Use Python’s warnings module to silence warnings which may not be correctable until the
next major release. Use this filter: ignore::FutureWarning:hoomd
. See Python’s warnings
documentation for more information on warning filters.
Note
Where noted, suggested replacements will be first available with v4.0.0 and there will be no releases with overlapping support for the two APIs.
v3.x#
Particle diameters (since v3.0.0).
Use potentials such as
md.pair.ExpandedLJ
.
hoomd.md.pair.aniso.ALJ.mode
parameter (since v3.1.0).mode
has no effect since v3.0.0.
hoomd.md.pair.aniso.Dipole.mode
parameter (since v3.1.0)mode
has no effect since v3.0.0.
hoomd.device.GPU.memory_traceback
parameter (since v3.4.0)memory_traceback
has no effect since v3.0.0.
hoomd.md.dihedral.Harmonic
(since v3.7.0).ENABLE_MPI_CUDA
CMake option (since v3.7.0).fix_cudart_rpath
CMake macro (since v3.7.0).charges
key inRigid.body
(since v3.7.0).Pass charges to
Rigid.create_bodies
or set in system state.
diameters
key inRigid.body
(since v3.7.0).Set diameters in system state.
hoomd.md.methods.NVE
(since v3.8.0).Use
hoomd.md.methods.ConstantVolume
withthermostat=None
(available in >=4.0.0).
hoomd.md.methods.NVT
(since v3.8.0).Use
hoomd.md.methods.ConstantVolume
with ahoomd.md.methods.thermostats.MTTK
thermostat (available in >=4.0.0).
hoomd.md.methods.Berendsen
(since v3.8.0).Use
hoomd.md.methods.ConstantVolume
with ahoomd.md.methods.thermostats.Berendsen
thermostat (available in >=4.0.0).
hoomd.md.methods.NPH
(since v3.8.0).Use
hoomd.md.methods.ConstantPressure` with ``thermostat=None
(available in >=4.0.0).
hoomd.md.methods.NPT
(since v3.8.0).Use
hoomd.md.methods.ConstantPressure
with ahoomd.md.methods.thermostats.MTTK
thermostat (available in >=4.0.0).
log
attribute and constructor parameter inhoomd.write.GSD
.Use
logger
.
hoomd.md.pair.Gauss
(since v3.10.0)msg_file
property and argument toDevice
and subclasses (since v3.10.0)Use
message_filename
.