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set version string to 4Feb2025

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This commit is contained in:
Axel Kohlmeyer
2025-01-30 17:22:28 -05:00
parent 48893236ec
commit 030ad0d5af
14 changed files with 24 additions and 25 deletions
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4
doc/lammps.1
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@ -1,7 +1,7 @@
.TH LAMMPS "1" "19 November 2024" "2024-11-19"
.TH LAMMPS "1" "4 February 2025" "2025-02-04"
.SH NAME
.B LAMMPS
\- Molecular Dynamics Simulator. Version 19 November 2024
\- Molecular Dynamics Simulator. Version 4 February 2025
.SH SYNOPSIS
.B lmp

8
doc/src/Fortran.rst
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@ -1470,7 +1470,7 @@ Procedures Bound to the :f:type:`lammps` Derived Type
LAMMPS equal style variable string, evaluates it and returns the resulting
scalar value as a floating-point number.
.. versionadded:: TBD
.. versionadded:: 4Feb2025
:p character(len=\*) expr: string to be evaluated
:to: :cpp:func:`lammps_eval`
@ -1482,7 +1482,7 @@ Procedures Bound to the :f:type:`lammps` Derived Type
Clear whether a compute has been invoked
.. versionadded:: TBD
.. versionadded:: 4Feb2025
:to: :cpp:func:`lammps_clearstep_compute`
@ -1493,7 +1493,7 @@ Procedures Bound to the :f:type:`lammps` Derived Type
Add timestep to list of future compute invocations
if the compute has been invoked on the current timestep
.. versionadded:: TBD
.. versionadded:: 4Feb2025
overloaded for 32-bit and 64-bit integer arguments
@ -1506,7 +1506,7 @@ Procedures Bound to the :f:type:`lammps` Derived Type
Add timestep to list of future compute invocations
.. versionadded:: TBD
.. versionadded:: 4Feb2025
overloaded for 32-bit and 64-bit integer arguments

2
doc/src/angle_mwlc.rst
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@ -21,7 +21,7 @@ Examples
Description
"""""""""""
.. versionadded:: TBD
.. versionadded:: 4Feb2025
The *mwlc* angle style models a meltable wormlike chain and can be used
to model non-linear bending elasticity of polymers, e.g. DNA. *mwlc*

2
doc/src/bond_bpm_spring.rst
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@ -123,7 +123,7 @@ heuristic maximum strain used by typical non-bpm bond styles. Similar behavior
to *break no* can also be attained by setting an arbitrarily high value of
:math:`\epsilon_c`. One cannot use *break no* with *smooth yes*.
.. versionadded:: TBD
.. versionadded:: 4Feb2025
The *volume/factor* keyword toggles whether an additional multibody
contribution is added to he force using the formulation in

2
doc/src/compute_gaussian_grid_local.rst
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@ -30,7 +30,7 @@ Examples
Description
"""""""""""
.. versionadded:: TBD
.. versionadded:: 4Feb2025
Define a computation that calculates a Gaussian representation of the ionic
structure. This representation is used for the efficient evaluation

2
doc/src/fix_efield_lepton.rst
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@ -40,7 +40,7 @@ Examples
Description
"""""""""""
.. versionadded:: TBD
.. versionadded:: 4Feb2025
Add an electric potential :math:`V` that applies to a group of charged atoms a force :math:`\vec{F} = q \vec{E}`,
and to dipoles a force :math:`\vec{F} = (\vec{p} \cdot \nabla) \vec{E}` and torque :math:`\vec{T} = \vec{p} \times \vec{E}`,

2
doc/src/fix_imd.rst
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@ -120,7 +120,7 @@ with different units or as a measure to tweak the forces generated by
the manipulation of the IMD client, this option allows to make
adjustments.
.. versionadded:: TBD
.. versionadded:: 4Feb2025
In `IMDv3 <IMDv3_>`_, the IMD protocol has been extended to allow for
the transmission of simulation time, box dimensions, atomic coordinates,

2
doc/src/pair_bpm_spring.rst
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@ -85,7 +85,7 @@ commands, or by mixing as described below:
* :math:`r_c` (distance units)
* :math:`\gamma` (force/velocity units)
.. versionadded:: TBD
.. versionadded:: 4Feb2025
Additionally, if *anharmonic* is set to *yes*, a fourth coefficient
must be provided:

2
doc/src/pair_dispersion_d3.rst
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@ -26,7 +26,7 @@ Examples
Description
"""""""""""
.. versionadded:: TBD
.. versionadded:: 4Feb2025
Style *dispersion/d3* computes the dispersion energy-correction used in
the DFT-D3 method of Grimme :ref:`(Grimme1) <Grimme1>`. It would

2
doc/src/pair_hbond_dreiding.rst
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@ -111,7 +111,7 @@ potential for the Donor-Acceptor interactions. :ref:`(Liu) <Liu>` showed
that the Morse form gives improved results for Dendrimer simulations,
when n = 2.
.. versionadded:: TBD
.. versionadded:: 4Feb2025
The style variants *hbond/dreiding/lj/angleoffset* and
*hbond/dreiding/lj/angleoffset* take the equilibrium angle of the AHD as

2
python/lammps/core.py
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@ -1701,7 +1701,7 @@ class lammps(object):
def eval(self, expr):
""" Evaluate a LAMMPS immediate variable expression
.. versionadded:: TBD
.. versionadded:: 4Feb2025
This function is a wrapper around the function :cpp:func:`lammps_eval`
of the C library interface. It evaluates and expression like in

8
src/library.cpp
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@ -2931,7 +2931,7 @@ int lammps_variable_info(void *handle, int idx, char *buffer, int buf_size) {
*
\verbatim embed:rst
.. versionadded:: TBD
.. versionadded:: 4Feb2025
This function takes a string with an expression that can be used
for :doc:`equal style variables <variable>`, evaluates it and returns
@ -2966,7 +2966,7 @@ double lammps_eval(void *handle, const char *expr)
*
\verbatim embed:rst
.. versionadded:: TBD
.. versionadded:: 4Feb2025
This function clears the invoked flag of all computes.
Called everywhere that computes are used, before computes are invoked.
@ -2992,7 +2992,7 @@ void lammps_clearstep_compute(void *handle) {
*
\verbatim embed:rst
.. versionadded:: TBD
.. versionadded:: 4Feb2025
loop over all computes
schedule next invocation for those that store invocation times
@ -3019,7 +3019,7 @@ void lammps_addstep_compute_all(void *handle, void *newstep) {
*
\verbatim embed:rst
.. versionadded:: TBD
.. versionadded:: 4Feb2025
loop over computes that store invocation times
if its invoked flag set on this timestep, schedule next invocation

8
src/utils.h
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@ -45,7 +45,7 @@ namespace utils {
*
\verbatim embed:rst
.. versionadded:: TBD
.. versionadded:: 4Feb2025
This function compares two strings while skipping over any kind of whitespace
(blank, tab, newline, carriage return, etc.).
@ -62,7 +62,7 @@ This function compares two strings while skipping over any kind of whitespace
*
\verbatim embed:rst
.. versionadded:: TBD
.. versionadded:: 4Feb2025
This function compresses whitespace in a string to just a single blank.
@ -96,7 +96,7 @@ This function compresses whitespace in a string to just a single blank.
*
\verbatim embed:rst
.. versionadded:: TBD
.. versionadded:: 4Feb2025
This function is a helper function for error messages. It creates extra output
in error messages. It will produce either two or three lines: the original last
@ -147,7 +147,7 @@ output are compressed to a single blank by calling :cpp:func:`strcompress()`
*
\verbatim embed:rst
.. versionadded:: TBD
.. versionadded:: 4Feb2025
\endverbatim
*

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src/version.h
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@ -1,2 +1 @@
#define LAMMPS_VERSION "19 Nov 2024"
#define LAMMPS_UPDATE "Development"
#define LAMMPS_VERSION "4 Feb 2025"