correct some documentation issues with the recently added USER-PTM package (a333fdac) · Commits · 郑智淋 / lammps

doc/src/Commands_compute.txt

+1 −1

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		@@ -96,7 +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
		"ptm/atom"_compute_ptm_atom.html,
		"rdf"_compute_rdf.html,
		"reduce"_compute_reduce.html,
		"reduce/chunk"_compute_reduce_chunk.html,

+4 −5

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		@@ -1749,7 +1749,7 @@ USER-PTM package :link(PKG-USER-PTM),h4

		[Contents:]

		A "compute ptm/atom"_compute_ptm.html command that calculates
		A "compute ptm/atom"_compute_ptm_atom.html command that calculates
		local structure characterization using the Polyhedral Template
		Matching methodology.

		@@ -1757,10 +1757,9 @@ Matching methodology.

		[Supporting info:]

		src/USER-PHONON: filenames -> commands
		src/USER-PHONON/README
		"fix phonon"_fix_phonon.html
		examples/USER/phonon :ul
		src/USER-PTM: filename starting with ptm_ -> supporting code, other filenames -> commands
		src/USER-PTM/LICENSE
		"compute ptm/atom"_compute_ptm_atom.html :ul

		:line

+1 −1

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		@@ -62,7 +62,7 @@ Package, Description, Doc page, Example, Library
		"USER-NETCDF"_Packages_details.html#PKG-USER-NETCDF, dump output via NetCDF,"dump netcdf"_dump_netcdf.html, n/a, ext
		"USER-OMP"_Packages_details.html#PKG-USER-OMP, OpenMP-enabled styles,"Speed omp"_Speed_omp.html, "Benchmarks"_http://lammps.sandia.gov/bench.html, no
		"USER-PHONON"_Packages_details.html#PKG-USER-PHONON, phonon dynamical matrix,"fix phonon"_fix_phonon.html, USER/phonon, no
		"USER-PTM"_Packages_details.html#PKG-USER-PTM, Polyhedral Template Matching,"compute ptm/atom"_compute_ptm.html, n/a, no
		"USER-PTM"_Packages_details.html#PKG-USER-PTM, Polyhedral Template Matching,"compute ptm/atom"_compute_ptm_atom.html, n/a, no
		"USER-QMMM"_Packages_details.html#PKG-USER-QMMM, QM/MM coupling,"fix qmmm"_fix_qmmm.html, USER/qmmm, ext
		"USER-QTB"_Packages_details.html#PKG-USER-QTB, quantum nuclear effects,"fix qtb"_fix_qtb.html "fix qbmsst"_fix_qbmsst.html, qtb, no
		"USER-QUIP"_Packages_details.html#PKG-USER-QUIP, QUIP/libatoms interface,"pair_style quip"_pair_quip.html, USER/quip, ext

+2 −2

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		@@ -80,9 +80,9 @@ too frequently or to have multiple compute/dump commands, each with a

		[Output info:]

		This compute calculates a per-atom array, which can be accessed by
		This compute calculates a per-atom arry, which can be accessed by
		any command that uses per-atom values from a compute as input. See
		"Section 6.15"_Section_howto.html#howto_15 for an overview of
		the "Howto output"_Howto_output.html doc page for an overview of
		LAMMPS output options.

		Results are stored in the per-atom array in the following order: