Unverified Commit 4fe23c38 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer Committed by GitHub
Browse files

Merge pull request #1120 from pmla/polyhedral-template-matching

Added compute for Polyhedral Template Matching
parents 1de76c33 f23b638d
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@@ -30,6 +30,7 @@ src/USER-MOFFF/* @hheenen
src/USER-MOLFILE/*    @akohlmey
src/USER-NETCDF/*     @pastewka
src/USER-PHONON/*     @lingtikong
src/USER-PTM/*        @pmla
src/USER-OMP/*        @akohlmey
src/USER-QMMM/*       @akohlmey
src/USER-REAXC/*      @hasanmetin
+7 −6
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@@ -164,12 +164,13 @@ set(LAMMPS_DEPS)
set(LAMMPS_API_DEFINES)

set(DEFAULT_PACKAGES ASPHERE BODY CLASS2 COLLOID COMPRESS DIPOLE GRANULAR
  KSPACE MANYBODY MC MEAM MESSAGE MISC MOLECULE PERI REAX REPLICA RIGID SHOCK SPIN SNAP
  SRD KIM PYTHON MSCG MPIIO VORONOI POEMS LATTE USER-ATC USER-AWPMD USER-BOCS
  USER-CGDNA USER-MESO USER-CGSDK USER-COLVARS USER-DIFFRACTION USER-DPD USER-DRUDE
  USER-EFF USER-FEP USER-H5MD USER-LB USER-MANIFOLD USER-MEAMC USER-MGPT USER-MISC
  USER-MOFFF USER-MOLFILE USER-NETCDF USER-PHONON USER-QTB USER-REAXC USER-SCAFACOS 
  USER-SMD USER-SMTBQ USER-SPH USER-TALLY USER-UEF USER-VTK USER-QUIP USER-QMMM)
  KSPACE MANYBODY MC MEAM MESSAGE MISC MOLECULE PERI REAX REPLICA RIGID SHOCK
  SPIN SNAP SRD KIM PYTHON MSCG MPIIO VORONOI POEMS LATTE USER-ATC USER-AWPMD
  USER-BOCS USER-CGDNA USER-MESO USER-CGSDK USER-COLVARS USER-DIFFRACTION
  USER-DPD USER-DRUDE USER-EFF USER-FEP USER-H5MD USER-LB USER-MANIFOLD
  USER-MEAMC USER-MGPT USER-MISC USER-MOFFF USER-MOLFILE USER-NETCDF
  USER-PHONON USER-PTM USER-QTB USER-REAXC USER-SCAFACOS USER-SMD USER-SMTBQ
  USER-SPH USER-TALLY USER-UEF USER-VTK USER-QUIP USER-QMMM)
set(ACCEL_PACKAGES USER-OMP KOKKOS OPT USER-INTEL GPU)
set(OTHER_PACKAGES CORESHELL QEQ)
foreach(PKG ${DEFAULT_PACKAGES})
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@@ -96,6 +96,7 @@ KOKKOS, o = USER-OMP, t = OPT.
"property/atom"_compute_property_atom.html,
"property/chunk"_compute_property_chunk.html,
"property/local"_compute_property_local.html,
"ptm/atom"_compute_ptm_atom.html
"rdf"_compute_rdf.html,
"reduce"_compute_reduce.html,
"reduce/chunk"_compute_reduce_chunk.html,
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\documentclass[12pt,article]{article}

\usepackage{indentfirst}
\usepackage{amsmath}

\newcommand{\set}[1]{\ensuremath{\mathbf{#1}}}
\newcommand{\mean}[1]{\ensuremath{\overline{#1}}}
\newcommand{\norm}[1]{\ensuremath{\left|\left|{#1}\right|\right|}}

\begin{document}

\begin{equation*}
\text{RMSD}(\set{u}, \set{v}) = \min_{s, \set{Q}} \sqrt{\frac{1}{N} \sum\limits_{i=1}^{N}
\norm{
s[\vec{u_i} - \mean{\set{u}}]
-
\set{Q} \vec{v_i}
}^2}
\end{equation*}

\end{document}
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