diff --git a/doc/src/Commands_compute.txt b/doc/src/Commands_compute.txt index 99c46eed4ad535bedf781a9e73e22fd799515224..81b618a6e2b8475d8999899c59715b6b40a062bd 100644 --- a/doc/src/Commands_compute.txt +++ b/doc/src/Commands_compute.txt @@ -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, diff --git a/doc/src/Packages_details.txt b/doc/src/Packages_details.txt index 73345a2940873bc8ed82521d2a1be4df32c6ed1b..6efcfd5f62a2769d227e2c5572d32dc8f82da62c 100644 --- a/doc/src/Packages_details.txt +++ b/doc/src/Packages_details.txt @@ -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 diff --git a/doc/src/Packages_user.txt b/doc/src/Packages_user.txt index 6d3a8f754a8f8de6e72dd3fa67a83ca950c7d948..6e363b28f7681e04e906ce8aed8a3b4b12f18476 100644 --- a/doc/src/Packages_user.txt +++ b/doc/src/Packages_user.txt @@ -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 diff --git a/doc/src/compute_ptm_atom.txt b/doc/src/compute_ptm_atom.txt index 6fe4d012f5a1679f61ef7bb2e81de3790b9ca9ce..2e22e4e9fb8822a2e46532a41b67da99a65dd9fb 100644 --- a/doc/src/compute_ptm_atom.txt +++ b/doc/src/compute_ptm_atom.txt @@ -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: