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Merge pull request #3706 from akohlmey/next_patch_release

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Update version strings for feature release
This commit is contained in:
Axel Kohlmeyer
2023-03-28 20:57:19 -04:00
committed by GitHub
parent bb01b849a9 0d145f317f
commit ff96eb2e84
15 changed files with 17 additions and 17 deletions
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doc/lammps.1
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@ -1,7 +1,7 @@
.TH LAMMPS "1" "8 February 2023" "2023-02-08" .TH LAMMPS "1" "28 March 2023" "2023-03-28"
.SH NAME .SH NAME
.B LAMMPS .B LAMMPS
\- Molecular Dynamics Simulator. Version 8 February 2023 \- Molecular Dynamics Simulator. Version 28 March 2023
.SH SYNOPSIS .SH SYNOPSIS
.B lmp .B lmp

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doc/src/Developer_updating.rst
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@ -389,7 +389,7 @@ This change is **required** or else the code will not compile.
Rename of fix STORE/PERATOM to fix STORE/ATOM and change of arguments Rename of fix STORE/PERATOM to fix STORE/ATOM and change of arguments
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
.. versionchanged:: TBD .. versionchanged:: 28Mar2023
The available functionality of the internal fix to store per-atom The available functionality of the internal fix to store per-atom
properties was expanded to enable storing data with ghost atoms and to properties was expanded to enable storing data with ghost atoms and to

2
doc/src/bond_bpm_rotational.rst
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@ -143,7 +143,7 @@ the *overlay/pair* keyword. These settings require specific
restrictions. Further details can be found in the `:doc: how to restrictions. Further details can be found in the `:doc: how to
<Howto_BPM>` page on BPMs. <Howto_BPM>` page on BPMs.
.. versionadded:: TBD .. versionadded:: 28Mar2023
If the *break/no* keyword is used, then LAMMPS assumes bonds should not break If the *break/no* keyword is used, then LAMMPS assumes bonds should not break
during a simulation run. This will prevent some unnecessary calculation. during a simulation run. This will prevent some unnecessary calculation.

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doc/src/bond_bpm_spring.rst
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@ -109,7 +109,7 @@ the *overlay/pair* keyword. These settings require specific
restrictions. Further details can be found in the `:doc: how to restrictions. Further details can be found in the `:doc: how to
<Howto_BPM>` page on BPMs. <Howto_BPM>` page on BPMs.
.. versionadded:: TBD .. versionadded:: 28Mar2023
If the *break/no* keyword is used, then LAMMPS assumes bonds should not break If the *break/no* keyword is used, then LAMMPS assumes bonds should not break
during a simulation run. This will prevent some unnecessary calculation. during a simulation run. This will prevent some unnecessary calculation.

2
doc/src/bond_harmonic_restrain.rst
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@ -21,7 +21,7 @@ Examples
Description Description
""""""""""" """""""""""
.. versionadded:: TBD .. versionadded:: 28Mar2023
The *harmonic/restrain* bond style uses the potential The *harmonic/restrain* bond style uses the potential

2
doc/src/compute_dipole.rst
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@ -42,7 +42,7 @@ geometric center times the net charge from the computed dipole
vector. Both per-atom charges and per-atom dipole moments, if present, vector. Both per-atom charges and per-atom dipole moments, if present,
contribute to the computed dipole. contribute to the computed dipole.
.. versionadded:: TBD .. versionadded:: 28Mar2023
Compute *dipole/tip4p* includes adjustments for the charge carrying Compute *dipole/tip4p* includes adjustments for the charge carrying
point M in molecules with TIP4P water geometry. The corresponding point M in molecules with TIP4P water geometry. The corresponding

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doc/src/compute_dipole_chunk.rst
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@ -51,7 +51,7 @@ center times the net charge from the computed dipole vector. Both
per-atom charges and per-atom dipole moments, if present, contribute to per-atom charges and per-atom dipole moments, if present, contribute to
the computed dipole. the computed dipole.
.. versionadded:: TBD .. versionadded:: 28Mar2023
Compute *dipole/tip4p/chunk* includes adjustments for the charge Compute *dipole/tip4p/chunk* includes adjustments for the charge
carrying point M in molecules with TIP4P water geometry. The carrying point M in molecules with TIP4P water geometry. The

2
doc/src/compute_pressure_alchemy.rst
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@ -26,7 +26,7 @@ Examples
Description Description
""""""""""" """""""""""
.. versionadded:: TBD .. versionadded:: 28Mar2023
Define a compute style that makes the "mixed" system pressure available Define a compute style that makes the "mixed" system pressure available
for a system that uses the :doc:`fix alchemy <fix_alchemy>` command to for a system that uses the :doc:`fix alchemy <fix_alchemy>` command to

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doc/src/fix_alchemy.rst
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@ -24,7 +24,7 @@ Examples
Description Description
""""""""""" """""""""""
.. versionadded:: TBD .. versionadded:: 28Mar2023
This fix command enables an "alchemical transformation" to be performed This fix command enables an "alchemical transformation" to be performed
between two systems, whereby one system slowly transforms into the other between two systems, whereby one system slowly transforms into the other

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doc/src/fix_efield.rst
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@ -45,7 +45,7 @@ external electric field being applied to the system. If the system
contains point-dipoles, also add a torque on the dipoles due to the contains point-dipoles, also add a torque on the dipoles due to the
external electric field. external electric field.
.. versionadded:: TBD .. versionadded:: 28Mar2023
When the *efield/tip4p* style is used, the E-field will be applied to When the *efield/tip4p* style is used, the E-field will be applied to
the position of the virtual charge site M of a TIP4P molecule instead of the position of the virtual charge site M of a TIP4P molecule instead of

2
doc/src/fix_mdi_qmmm.rst
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@ -39,7 +39,7 @@ Examples
Description Description
""""""""""" """""""""""
.. versionadded:: TBD .. versionadded:: 28Mar2023
This command enables LAMMPS to act as a client with another server code This command enables LAMMPS to act as a client with another server code
to perform a coupled QM/MM (quantum-mechanics/molecular-mechanics) to perform a coupled QM/MM (quantum-mechanics/molecular-mechanics)

2
doc/src/fix_pimd.rst
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@ -33,7 +33,7 @@ Examples
Description Description
""""""""""" """""""""""
.. versionchanged:: TBD .. versionchanged:: 28Mar2023
Fix pimd was renamed to fix pimd/nvt. Fix pimd was renamed to fix pimd/nvt.

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doc/src/fix_wall.rst
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@ -194,7 +194,7 @@ For style *wall/morse*, the energy E is given by a Morse potential:
E = D_0 \left[ e^{- 2 \alpha (r - r_0)} - 2 e^{- \alpha (r - r_0)} \right] E = D_0 \left[ e^{- 2 \alpha (r - r_0)} - 2 e^{- \alpha (r - r_0)} \right]
\qquad r < r_c \qquad r < r_c
.. versionadded:: TBD .. versionadded:: 28Mar2023
For style *wall/lepton*, the energy E is provided as an Lepton For style *wall/lepton*, the energy E is provided as an Lepton
expression string using "r" as the distance variable. The `Lepton expression string using "r" as the distance variable. The `Lepton
@ -215,7 +215,7 @@ spring as in fix *wall/harmonic* with a force constant *K* (same as
:math:`\epsilon` above) of 100 energy units. More details on the Lepton :math:`\epsilon` above) of 100 energy units. More details on the Lepton
expression strings are given below. expression strings are given below.
.. versionadded:: TBD .. versionadded:: 28Mar2023
For style *wall/table*, the energy E and forces are determined from For style *wall/table*, the energy E and forces are determined from
interpolation tables listed in one or more files as a function of interpolation tables listed in one or more files as a function of

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doc/src/pair_gauss.rst
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@ -170,7 +170,7 @@ The *gauss* and *gauss/cut* styles are part of the EXTRA-PAIR package.
They are only enabled if LAMMPS is build with that package. See the They are only enabled if LAMMPS is build with that package. See the
:doc:`Build package <Build_package>` page for more info. :doc:`Build package <Build_package>` page for more info.
.. versionchanged:: TBD .. versionchanged:: 28Mar2023
Prior to this version, the *gauss* pair style did not apply Prior to this version, the *gauss* pair style did not apply
:doc:`special_bonds <special_bonds>` factors. :doc:`special_bonds <special_bonds>` factors.

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src/version.h
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@ -1 +1 @@
#define LAMMPS_VERSION "8 Feb 2023" #define LAMMPS_VERSION "28 Mar 2023"