From 4be3da727a8c92c7c2673f9b50380b019a1f78aa Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Wed, 16 Mar 2022 13:22:39 -0400 Subject: [PATCH] include tools/python in whitespace check --- tools/coding_standard/whitespace.py | 1 + tools/python/README | 18 +++++++++--------- 2 files changed, 10 insertions(+), 9 deletions(-) diff --git a/tools/coding_standard/whitespace.py b/tools/coding_standard/whitespace.py index f07aa4a65e..be53f60380 100644 --- a/tools/coding_standard/whitespace.py +++ b/tools/coding_standard/whitespace.py @@ -28,6 +28,7 @@ include: - src/** - lib/** - tools/coding_standard + - tools/python exclude: - lib/colvars/Install.py - lib/gpu/geryon/file_to_cstr.sh diff --git a/tools/python/README b/tools/python/README index 782207c96e..7067d1b9e1 100644 --- a/tools/python/README +++ b/tools/python/README @@ -6,14 +6,14 @@ functionality that could be added, built on the Pizza.py modules (as explained below), send email to Steve Plimpton (sjplimp at sandia.gov). -log2txt.py convert thermo info in a LAMMPS log file to columns of numbers -logplot.py plot 2 columns of thermo info from a LAMMPS log file -dumpsort.py sort the snapshots of atoms in a LAMMPS dump file by atom ID -dump2cfg.py convert a native LAMMPS dump file to CFG format -dump2xyz.py convert a native LAMMPS dump file to XYZ format -dump2pdb.py convert a native LAMMPS dump file to PDB format -neb_combine.py combine multiple NEB dump files into one time series -neb_final.py combine multiple NEB final states into one sequence of states +log2txt.py convert thermo info in a LAMMPS log file to columns of numbers +logplot.py plot 2 columns of thermo info from a LAMMPS log file +dumpsort.py sort the snapshots of atoms in a LAMMPS dump file by atom ID +dump2cfg.py convert a native LAMMPS dump file to CFG format +dump2xyz.py convert a native LAMMPS dump file to XYZ format +dump2pdb.py convert a native LAMMPS dump file to PDB format +neb_combine.py combine multiple NEB dump files into one time series +neb_final.py combine multiple NEB final states into one sequence of states See the top of each script file for syntax, or just run it with no arguments to get a syntax message. @@ -68,7 +68,7 @@ directory where your data files are. The latter requires 2 things: 1) that the script be made "executable", e.g. type "chmod +x log2txt.py" -2) that the 1st line of the script is the path of the Python installed +2) that the 1st line of the script is the path of the Python installed on your box, e.g. /usr/local/bin/python IMPORTANT NOTE: If you run the logplot.py script using the 1st method