Unverified Commit f69c6196 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

Merge branch 'master' into doc-continued-refactoring

# Conflicts:
#	doc/src/compute_fep.rst
parents b30670d4 c8561ece
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@@ -49,8 +49,8 @@ if(PKG_USER-PLUMED)
    message(STATUS "PLUMED download requested - we will build our own")
    include(ExternalProject)
    ExternalProject_Add(plumed_build
      URL https://github.com/plumed/plumed2/releases/download/v2.5.3/plumed-src-2.5.3.tgz
      URL_MD5 de30d6e7c2dcc0973298e24a6da24286
      URL https://github.com/plumed/plumed2/releases/download/v2.6.0/plumed-src-2.6.0.tgz
      URL_MD5 204d2edae58d9b10ba3ad460cad64191
      BUILD_IN_SOURCE 1
      CONFIGURE_COMMAND <SOURCE_DIR>/configure --prefix=<INSTALL_DIR>
                                               ${CONFIGURE_REQUEST_PIC}
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@@ -880,6 +880,9 @@ USER-PLUMED package
Before building LAMMPS with this package, you must first build PLUMED.
PLUMED can be built as part of the LAMMPS build or installed separately
from LAMMPS using the generic `plumed installation instructions <plumedinstall_>`_.
The USER-PLUMED package has been tested to work with Plumed versions
2.4.x, 2.5.x, and 2.6.x and will error out, when trying to run calculations
with a different version of the Plumed kernel.


PLUMED can be linked into MD codes in three different modes: static,

doc/src/Eqs/pair_coul_soft.jpg

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doc/src/Eqs/pair_coul_soft.tex

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\documentstyle[12pt]{article}

\begin{document}

\[
E = \lambda^n \frac{ C q_i q_j}{\epsilon
\left[ \alpha_{\mathrm{C}} (1-\lambda)^2 + r^2 \right]^{1/2}} \qquad r < r_c
\]

\end{document}

doc/src/Eqs/pair_lj_soft.jpg

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