resolve some issues in .rst files detected by pandoc

This commit is contained in:
Axel Kohlmeyer
2025-03-15 12:00:53 -04:00
parent 5b5b700318
commit 54be0adfb8
3 changed files with 15 additions and 14 deletions

View File

@ -487,10 +487,10 @@ updates are back-ported from the *develop* branch to the *maintenance*
branch and occasionally merged to *stable* as an update release. branch and occasionally merged to *stable* as an update release.
Furthermore, the naming of the release tags now follow the pattern Furthermore, the naming of the release tags now follow the pattern
"patch_<Day><Month><Year>" to simplify comparisons between releases. "patch\_<Day><Month><Year>" to simplify comparisons between releases.
For stable releases additional "stable_<Day><Month><Year>" tags are For stable releases additional "stable\_<Day><Month><Year>" tags are
applied and update releases are tagged with applied and update releases are tagged with
"stable_<Day><Month><Year>_update<Number>", Finally, all releases and "stable\_<Day><Month><Year>\_update<Number>", Finally, all releases and
submissions are subject to automatic testing and code checks to make submissions are subject to automatic testing and code checks to make
sure they compile with a variety of compilers and popular operating sure they compile with a variety of compilers and popular operating
systems. Some unit and regression testing is applied as well. systems. Some unit and regression testing is applied as well.

View File

@ -131,14 +131,15 @@ timesteps is simply
t_{hyper} = \sum_{i=1,N} B-i \cdot dt t_{hyper} = \sum_{i=1,N} B-i \cdot dt
where *dt* is the timestep size defined by the :doc:`timestep <timestep>` where *dt* is the timestep size defined by the :doc:`timestep <timestep>`
command. The effective time acceleration due to GHD is thus t_hyper / command. The effective time acceleration due to GHD is thus
N\*dt, where N\*dt is elapsed time for a normal MD run of N timesteps. :math:`t_{hyper} / N * dt`, where N\*dt is elapsed time for a normal MD run
of N timesteps.
Note that in GHD, the boost factor varies from timestep to timestep. Note that in GHD, the boost factor varies from timestep to timestep. Likewise,
Likewise, which bond has :math:`E^{max}` strain and thus which pair of which bond has :math:`E^{max}` strain and thus which pair of atoms the bias
atoms the bias potential is added to, will also vary from timestep to timestep. potential is added to, will also vary from timestep to timestep. This is in
This is in contrast to local hyperdynamics (LHD) where the boost contrast to local hyperdynamics (LHD) where the boost factor is an input
factor is an input parameter; see the :doc:`fix hyper/local <fix_hyper_local>` page for details. parameter; see the :doc:`fix hyper/local <fix_hyper_local>` page for details.
---------- ----------
@ -178,7 +179,7 @@ time-accurate trajectory of the system.
Note that if *Vmax* is set too small, the GHD simulation will run Note that if *Vmax* is set too small, the GHD simulation will run
correctly. There will just be fewer events because the hyper time correctly. There will just be fewer events because the hyper time
(t_hyper equation above) will be shorter. (:math:`t_{hyper}` equation above) will be shorter.
.. note:: .. note::

View File

@ -111,7 +111,7 @@ requirement, and thus a bias potential :math:`V^{max}_{ij}` will be
applied to many bonds on the same timestep. applied to many bonds on the same timestep.
In LHD, all bonds store a :math:`C_{ij}` prefactor which appears in In LHD, all bonds store a :math:`C_{ij}` prefactor which appears in
the :math:`V^{max}_{ij}` and :math:`F^{max}_{ij}equations above. Note the :math:`V^{max}_{ij}` and :math:`F^{max}_{ij}` equations above. Note
that the :math:`C_{ij}` factor scales the strength of the bias energy that the :math:`C_{ij}` factor scales the strength of the bias energy
and forces whenever bond *ij* is the maximum strain bond in its neighborhood. and forces whenever bond *ij* is the maximum strain bond in its neighborhood.
@ -269,7 +269,7 @@ inverse of the alpha parameter discussed in
The *Btarget* argument is the desired time boost factor (a value > 1) The *Btarget* argument is the desired time boost factor (a value > 1)
that all the atoms in the system will experience. The elapsed time that all the atoms in the system will experience. The elapsed time
t_hyper for an LHD simulation running for *N* timesteps is simply :math:`t_{hyper}` for an LHD simulation running for *N* timesteps is simply
.. math:: .. math::
@ -294,7 +294,7 @@ is the specified temperature of the system
Note that if *Btarget* is set smaller than this, the LHD simulation Note that if *Btarget* is set smaller than this, the LHD simulation
will run correctly. There will just be fewer events because the hyper will run correctly. There will just be fewer events because the hyper
time (t_hyper equation above) will be shorter. time (:math:`t_{hyper}` equation above) will be shorter.
.. note:: .. note::