v3.7.0
·
3216 commits
to trunk-patch
since this release
Added
Neighborlist.r_cut
sets the base cutoff radius for neighbor
search - for use when the neighbor list is used for analysis or
custom Python code.Neighborlist.cpu_local_nlist_arrays
provides zero-copy access to
the computed neighbor list.Neighborlist.gpu_local_nlist_arrays
provides zero-copy access to
the computed neighbor list.Neighborlist.local_pair_list
provides the rank local pair list by
index.Neighborlist.pair_list
provides the global pair list by tag on
rank 0.hoomd.md.dihedral.Periodic
- a new name for the previous
Harmonic
potential.default_gamma
anddefault_gamma_r
arguments to the
hoomd.md.methods
:Brownian
,Langevin
, andOverdampedViscous
.reservoir_energy
loggable inhoomd.md.methods.Langevin
.hoomd.md.force.Constant
applies constant forces and torques to
particles.
Changed
- [plugin developers] Refactored the
LocalDataAccess
C++ classes
to add flexibility.
Fixed
hoomd.hpmc.nec
integrators compute non-infinite virial pressures
for 2D simulations.- Raise an exception when attempting to get the shape specification of
shapes with 0 elements. - Box conversion error message now names
hoomd.Box
.
Deprecated
hoomd.md.dihedral.Harmonic
- use the functionally equivalent
hoomd.md.dihedral.Periodic
.charges
key inhoomd.md.constrain.Rigid.body
.diameters
key inhoomd.md.constrain.Rigid.body
.