Commit 28d59ce5 authored by tomswinburne's avatar tomswinburne
Browse files

final steps

parent 2ee6e907

doc/src/Build_package.rst

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@@ -136,10 +136,7 @@ src directory. 
.. _cmake_presets:



CMake presets for installing many packages

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""""""""""""""""""""""""""""""""""""""""""

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Instead of specifying all the CMake options via the command-line,

CMake allows initializing its settings cache using script files.

doc/src/Commands_fix.rst

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@@ -150,10 +150,7 @@ OPT. 
   * :doc:`orient/bcc <fix_orient>`

   * :doc:`orient/fcc <fix_orient>`

   * :doc:`orient/eco <fix_orient_eco>`

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   * :doc:`pafi <fix_pafi>`

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   * :doc:`phonon <fix_phonon>`

   * :doc:`pimd <fix_pimd>`

   * :doc:`planeforce <fix_planeforce>`

doc/src/compute_property_atom.rst

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@@ -189,11 +189,8 @@ Related commands 
:doc:`dump custom <dump>`, :doc:`compute reduce <compute_reduce>`,

:doc::doc:`fix ave/atom <fix_ave_atom>`, :doc:`fix ave/chunk

:doc:<fix_ave_chunk>`, `fix property/atom <fix_property_atom>`

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Default

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none

doc/src/fix.rst

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@@ -293,10 +293,7 @@ accelerated styles exist. 
* :doc:`orient/bcc <fix_orient>` - add grain boundary migration force for BCC

* :doc:`orient/fcc <fix_orient>` - add grain boundary migration force for FCC

* :doc:`orient/eco <fix_orient_eco>` - add generalized grain boundary migration force

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* :doc:`pafi <fix_pafi>` - constrained force averages on hyper-planes to compute free energies (PAFI)

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* :doc:`phonon <fix_phonon>` - calculate dynamical matrix from MD simulations

* :doc:`pimd <fix_pimd>` - Feynman path integral molecular dynamics

* :doc:`planeforce <fix_planeforce>` - constrain atoms to move in a plane

src/USER-MISC/README

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@@ -63,10 +63,7 @@ fix momentum/chunk, Jiang Xiao (Hong Kong Polytechnic University), polyu-xiao.ji 
fix npt/cauchy, R. E. Miller (Carleton University), F. Pavia and S. Pattamatta, 12 Jan 2020

fix nvk, Efrem Braun (UC Berkeley), efrem.braun at gmail.com, https://github.com/lammps/lammps/pull/310

fix orient/eco Adrian A. Schratt and Volker Mohles (Ruhr-Uni Bochum), volker.mohles at rub.de, 6 Jun 2020

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fix pafi, Thomas Swinburne (CNRS), swinburne at cinam.univ-mrs.fr, 1st May 2020

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fix pimd, Yuxing Peng (U Chicago), yuxing at uchicago.edu, 24 Nov 2014

fix propel/self, Stefan Paquay (Brandeis U), stefanpaquay at gmail.com, 20 Jan 2020

fix rhok, Ulf Pedersen (Roskilde U), ulf at urp.dk, 25 Sep 2017

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