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Merge pull request #1242 from glotzerlab/release-v3.0.0-beta.14
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Release v3.0.0 beta.14
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joaander authored Feb 18, 2022
2 parents b5519e4 + 376bff7 commit 34ec666
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2 changes: 1 addition & 1 deletion .bumpversion.cfg
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@@ -1,5 +1,5 @@
[bumpversion]
current_version = 3.0.0-beta.13
current_version = 3.0.0-beta.14
commit = False
tag = False
parse = ^(?P<major>0|[1-9]\d*)\.(?P<minor>0|[1-9]\d*)\.(?P<patch>0|[1-9]\d*)(?:-(?P<prerelease>(?:0|[1-9]\d*|\d*[a-zA-Z-][0-9a-zA-Z-]*))(?:\.(?P<number>0|[1-9]\d*|\d*[a-zA-Z-][0-9a-zA-Z-]*)))?$
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35 changes: 20 additions & 15 deletions CHANGELOG.rst
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Expand Up @@ -7,43 +7,48 @@ Change Log
v3.x
----

v3.0.0-beta.14 (not yet released)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
v3.0.0-beta.14 (2022-02-18)
^^^^^^^^^^^^^^^^^^^^^^^^^^^

*Added*

* ``hpmc.external.field.Harmonic`` - harmonic potential of particles to specific sites in
* ``hoomd.hpmc.external.field.Harmonic`` - harmonic potential of particles to specific sites in
the simulation box and orientations.
* Support ``cereal`` 1.3.1
* Guide on how to model molecular systems.
* ``version.floating_point_precision`` - Floating point width in bits for the particle
properties and local calculations.
* ``md.pair.LJ.tail_correction`` - Option to enable the isotropic integrated long range tail
* ``hoomd.md.pair.LJ.tail_correction`` - Option to enable the isotropic integrated long range tail
correction.
* ``md.Integrator.linear_momentum`` - Compute the total system linear momentum. Loggable.
* ``md.bond.Table`` - Tabulated bond potential.
* ``md.angle.Table`` - Tabulated angle potential.
* ``md.dihedral.Table`` - Tabulated dihedral potential.
* ``md.improper.Harmonic`` - Compute the harmonic improper potential and forces.
* ``hoomd.md.Integrator.linear_momentum`` - Compute the total system linear momentum. Loggable.
* ``hoomd.md.bond.Table`` - Tabulated bond potential.
* ``hoomd.md.angle.Table`` - Tabulated angle potential.
* ``hoomd.md.dihedral.Table`` - Tabulated dihedral potential.
* ``hoomd.md.improper.Harmonic`` - Compute the harmonic improper potential and forces.
* Tutorial on Organizing and executing simulations.
* C++ and build system overview in ``ARCHITECTURE.md``.
* ``hpmc.external.wall`` - Overlap checks between particles and wall surfaces.
* ``hoomd.hpmc.external.wall`` - Overlap checks between particles and wall surfaces.
* ``hoomd.md.pair.ansio.ALJ`` - an anisotropic Lennard-Jones-like pair potential for polyhedra and
ellipsoids.
* New optional dependency: ``coxeter``, needed for some ``ALJ`` methods.

*Changed*

* Support variant translational and rotational spring constants in ``hpmc.external.field.Harmonic``.
* [breaking] Renamed ``md.angle.Cosinesq`` to ``md.angle.CosineSquared``.
* [breaking] `hoomd.Box` no longer has a `matrix` property use ``to_matrix`` and ``from_matrix``.
* Support variant translational and rotational spring constants in
``hoomd.hpmc.external.field.Harmonic``.
* [breaking] Renamed ``hoomd.md.angle.Cosinesq`` to ``hoomd.md.angle.CosineSquared``.
* [breaking] ``hoomd.Box`` no longer has a ``matrix`` property use ``to_matrix`` and
``from_matrix``.

*Fixed*

* Compilation errors on FreeBSD.
* ``TypeError`` when instantiating special pair forces.
* Inconsistent state when using the ``walls`` setter of a ``md.external.wall.WallPotential``.
* Inconsistent state when using the ``walls`` setter of a ``hoomd.md.external.wall.WallPotential``.

*Removed*

* [breaking] Removed ``md.pair.SLJ`` potential and wall. Use ``md.pair.ExpandedLJ``.
* [breaking] Removed ``hoomd.md.pair.SLJ`` potential and wall. Use ``hoomd.md.pair.ExpandedLJ``.
* [breaking] ``hoomd.Box.lattice_vectors`` property no longer exists.

v3.0.0-beta.13 (2022-01-18)
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2 changes: 1 addition & 1 deletion CMakeLists.txt
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Expand Up @@ -14,7 +14,7 @@ add_subdirectory (CMake)

################################
## Version information
set(HOOMD_VERSION_RAW "3.0.0-beta.13")
set(HOOMD_VERSION_RAW "3.0.0-beta.14")
string(REGEX MATCH "(.*)\\.(.*)\\.(.*)$" _hoomd_version_match ${HOOMD_VERSION_RAW})
set(HOOMD_VERSION_MAJOR ${CMAKE_MATCH_1})
set(HOOMD_VERSION_MINOR ${CMAKE_MATCH_2})
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4 changes: 2 additions & 2 deletions hoomd/hpmc/external/user.py
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Expand Up @@ -59,9 +59,9 @@ class CPPExternalPotential(ExternalField):
Your code *must* return a value.
.. _VectorMath.h: https://github.com/glotzerlab/hoomd-blue/blob/\
v3.0.0-beta.13/hoomd/VectorMath.h
v3.0.0-beta.14/hoomd/VectorMath.h
.. _BoxDim.h: https://github.com/glotzerlab/hoomd-blue/blob/\
v3.0.0-beta.13/hoomd/BoxDim.h
v3.0.0-beta.14/hoomd/BoxDim.h
Example:
.. code-block:: python
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2 changes: 1 addition & 1 deletion hoomd/hpmc/pair/user.py
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Expand Up @@ -67,7 +67,7 @@ class CPPPotentialBase(_HOOMDBaseObject):
HOOMD-blue source code.
.. _VectorMath.h: https://github.com/glotzerlab/hoomd-blue/blob/\
v3.0.0-beta.13/hoomd/VectorMath.h
v3.0.0-beta.14/hoomd/VectorMath.h
Note:
Your code *must* return a value.
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4 changes: 2 additions & 2 deletions sphinx-doc/conf.py
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Expand Up @@ -55,8 +55,8 @@
copyright = f'2009-{ year } The Regents of the University of Michigan'
author = 'The Regents of the University of Michigan'

version = '3.0.0-beta.13'
release = '3.0.0-beta.13'
version = '3.0.0-beta.14'
release = '3.0.0-beta.14'

language = None

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