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remove min style fire/old

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This commit is contained in:
Axel Kohlmeyer
2023-01-11 07:33:16 -05:00
parent f5a8a0c398
commit 0104824727
37 changed files with 541 additions and 1541 deletions
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10
doc/src/Commands_removed.rst
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@ -50,6 +50,16 @@ for some optimizations leading to better performance. The pair style
period the C++ version of MEAM was called USER-MEAMC so it could
coexist with the Fortran version.
Minimize style fire/old
-----------------------
.. deprecated:: TBD
Minimize style *fire/old* has been removed. Its functionality can be
reproduced with *fire* with specific options. Please see the
:doc:`min_modify command <min_modify>` documentation for details.
REAX package
------------

29
doc/src/min_style.rst
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@ -15,9 +15,6 @@ min_style quickmin command
min_style fire command
======================
min_style fire/old command
==========================
:doc:`min_style spin <min_spin>` command
========================================
@ -34,7 +31,7 @@ Syntax
min_style style
* style = *cg* or *hftn* or *sd* or *quickmin* or *fire* or *fire/old* or *spin* or *spin/cg* or *spin/lbfgs*
* style = *cg* or *hftn* or *sd* or *quickmin* or *fire* or *spin* or *spin/cg* or *spin/lbfgs*
.. parsed-literal::
@ -98,17 +95,6 @@ in :ref:`(Guenole) <Guenole>` that include different time integration
schemes and default parameters. The default parameters can be modified
with the command :doc:`min_modify <min_modify>`.
Style *fire/old* is the original implementation of *fire* in Lammps,
conserved for backward compatibility. The main differences regarding
the current version *fire* are: time integration by Explicit Euler
only, different sequence in maintaining velocity components non-parallel
to the current force vector and hard-coded minimization parameters.
A complete description of the differences between *fire/old* and *fire*
can be found in :ref:`(Guenole) <Guenole>` (where the current *fire*
in LAMMPS is called *fire2.0*). By using an appropriate set of
parameters, *fire* can behave similar to *fire/old*, as described
in the :doc:`min_modify <min_modify>` command.
Style *spin* is a damped spin dynamics with an adaptive timestep.
Style *spin/cg* uses an orthogonal spin optimization (OSO) combined to
@ -121,13 +107,12 @@ to minimize spin configurations.
See the :doc:`min/spin <min_spin>` page for more information about
the *spin*, *spin/cg* and *spin/lbfgs* styles.
Either the *quickmin*, *fire* and *fire/old* styles are useful in the
context of nudged elastic band (NEB) calculations via the :doc:`neb
<neb>` command.
Either the *quickmin* or the *fire* styles are useful in the context of
nudged elastic band (NEB) calculations via the :doc:`neb <neb>` command.
Either the *spin*, *spin/cg* and *spin/lbfgs* styles are useful in
the context of magnetic geodesic nudged elastic band (GNEB)
calculations via the :doc:`neb/spin <neb_spin>` command.
Either the *spin*, *spin/cg*, or *spin/lbfgs* styles are useful in the
context of magnetic geodesic nudged elastic band (GNEB) calculations via
the :doc:`neb/spin <neb_spin>` command.
.. note::
@ -140,7 +125,7 @@ calculations via the :doc:`neb/spin <neb_spin>` command.
.. note::
The *quickmin*, *fire*, *fire/old*, *hftn*, and *cg/kk* styles do not yet
The *quickmin*, *fire*, *hftn*, and *cg/kk* styles do not yet
support the use of the :doc:`fix box/relax <fix_box_relax>` command
or minimizations involving the electron radius in :doc:`eFF
<pair_eff>` models.