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Merge branch 'master' into package-reorganization2

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This commit is contained in:
Axel Kohlmeyer
2021-07-12 11:45:27 -04:00
parent 4c1eea630c 998b76520e
commit 0540ce547b
73 changed files with 1635 additions and 1382 deletions
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2
doc/src/fix_adapt.rst
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@ -188,6 +188,8 @@ formulas for the meaning of these parameters:
+------------------------------------------------------------------------------+--------------------------------------------------+-------------+
| :doc:`reax/c <pair_reaxc>` | chi, eta, gamma | type global |
+------------------------------------------------------------------------------+--------------------------------------------------+-------------+
| :doc:`snap <pair_snap>` | scale | type pairs |
+------------------------------------------------------------------------------+--------------------------------------------------+-------------+
| :doc:`spin/dmi <pair_spin_dmi>` | coulombic_cutoff | type global |
+------------------------------------------------------------------------------+--------------------------------------------------+-------------+
| :doc:`spin/exchange <pair_spin_exchange>` | coulombic_cutoff | type global |

4
doc/src/fix_adapt_fep.rst
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@ -173,10 +173,12 @@ styles and their energy formulas for the meaning of these parameters:
+------------------------------------------------------------------------------+-------------------------+------------+
| :doc:`nm/cut/coul/cut, nm/cut/coul/long <pair_nm>` | e0,r0,nn,mm | type pairs |
+------------------------------------------------------------------------------+-------------------------+------------+
| :doc:`ufm <pair_ufm>` | epsilon,sigma,scale | type pairs |
| :doc:`snap <pair_snap>` | scale | type pairs |
+------------------------------------------------------------------------------+-------------------------+------------+
| :doc:`soft <pair_soft>` | a | type pairs |
+------------------------------------------------------------------------------+-------------------------+------------+
| :doc:`ufm <pair_ufm>` | epsilon,sigma,scale | type pairs |
+------------------------------------------------------------------------------+-------------------------+------------+
.. note::

2
doc/src/pair_rann.rst
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@ -382,6 +382,8 @@ Pair style *rann* is part of the ML-RANN package. It is only enabled if LAMMPS
package. Additionally, if any spin fingerprint styles are used LAMMPS must be built with the SPIN
package as well.
Pair style *rann* does not support computing per-atom stress or using :doc:`pair_modify nofdotr <pair_modify>`.
Defaults
""""""""""""

6
doc/src/pair_tersoff.rst
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@ -16,9 +16,6 @@ pair_style tersoff/table command
Accelerator Variants: *tersoff/table/omp*
pair_style tersoff/shift command
================================
Syntax
""""""
@ -309,6 +306,9 @@ The *shift* keyword is not supported by the *tersoff/gpu*,
*tersoff/intel*, *tersoff/kk*, *tersoff/table* or *tersoff/table/omp*
variants.
The *tersoff/intel* pair style is only available when compiling LAMMPS
with the Intel compilers.
The Tersoff potential files provided with LAMMPS (see the potentials
directory) are parameterized for :doc:`"metal" units <units>`. In addition
the pair style supports converting potential parameters on-the-fly between