From b26716c44c3d59642df71d0990a6ef0fbfc85d7a Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Thu, 20 Oct 2022 23:11:45 -0400 Subject: [PATCH] a few more updates --- doc/utils/converters/lammpsdoc/txt2html.py | 2 +- doc/utils/sphinx-config/conf.py.in | 6 +++--- fortran/lammps.f90 | 2 +- tools/python/README | 3 +-- tools/python/dump2cfg.py | 2 +- tools/python/dump2pdb.py | 2 +- tools/python/dump2xyz.py | 2 +- tools/python/dumpsort.py | 2 +- tools/python/log2txt.py | 2 +- tools/python/logplot.py | 2 +- tools/python/neb_combine.py | 1 + tools/python/neb_final.py | 1 + 12 files changed, 14 insertions(+), 13 deletions(-) diff --git a/doc/utils/converters/lammpsdoc/txt2html.py b/doc/utils/converters/lammpsdoc/txt2html.py index ed9f47a4e4..93f1b257a5 100755 --- a/doc/utils/converters/lammpsdoc/txt2html.py +++ b/doc/utils/converters/lammpsdoc/txt2html.py @@ -3,7 +3,7 @@ # # Python rewrite of txt2html # The original txt2html was written in C by Steve Plimpton -# (http://www.cs.sandia.gov/cgi-bin/sjplimp/) +# (https://sjplimp.github.io/) # # Copyright (C) 2015 Richard Berger # diff --git a/doc/utils/sphinx-config/conf.py.in b/doc/utils/sphinx-config/conf.py.in index 722e678d17..ba2b8af5a1 100644 --- a/doc/utils/sphinx-config/conf.py.in +++ b/doc/utils/sphinx-config/conf.py.in @@ -413,9 +413,9 @@ at Sandia National Laboratories, a US Department of Energy facility, with funding from the DOE. It is an open-source code, distributed freely under the terms of the GNU Public License (GPL). -The primary author of the code is Steve Plimpton, who can be emailed -at sjplimp@sandia.gov. The LAMMPS WWW Site at www.lammps.org has -more information about the code and its uses. +The LAMMPS developers can be contacted at developers@lammps.org. +The LAMMPS WWW Site at www.lammps.org has more information about +the code and its uses. """ epub_author = 'The LAMMPS Developers' diff --git a/fortran/lammps.f90 b/fortran/lammps.f90 index 3355db5209..c3ce41ecb1 100644 --- a/fortran/lammps.f90 +++ b/fortran/lammps.f90 @@ -1,7 +1,7 @@ ! ------------------------------------------------------------------------- ! LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator ! https://www.lammps.org/ Sandia National Laboratories -! Steve Plimpton, sjplimp@sandia.gov +! The LAMMPS Developers, developers@lammps.org ! ! Copyright (2003) Sandia Corporation. Under the terms of Contract ! DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains diff --git a/tools/python/README b/tools/python/README index 433b86b315..6840d5bae6 100644 --- a/tools/python/README +++ b/tools/python/README @@ -3,8 +3,7 @@ post-processing tasks. If you have suggestions or contributions for additional scripts or functionality that could be added, built on the Pizza.py modules (as -explained below), send email to Steve Plimpton (sjplimp at -sandia.gov). +explained below), send email to Steve Plimpton (sjplimp at gmail.com) 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 diff --git a/tools/python/dump2cfg.py b/tools/python/dump2cfg.py index 8966f6a046..7d7ea5bab0 100755 --- a/tools/python/dump2cfg.py +++ b/tools/python/dump2cfg.py @@ -7,7 +7,7 @@ # Nid,Ntype,Nx,Ny,Nz = columns #s for ID,type,x,y,z # (usually 1,2,3,4,5) # cfgfile = new CFG file -# Author: Steve Plimpton (Sandia), sjplimp at sandia.gov +# Author: Steve Plimpton (Sandia), sjplimp at gmail.com import sys,os path = os.environ["LAMMPS_PYTHON_TOOLS"] diff --git a/tools/python/dump2pdb.py b/tools/python/dump2pdb.py index ff228ae93b..f9f606477d 100755 --- a/tools/python/dump2pdb.py +++ b/tools/python/dump2pdb.py @@ -9,7 +9,7 @@ # pdbfile = new PDB file # template = PDB file to use as template for creating new PDB file # this arg is optional, if not used a generic PDB file is created -# Author: Steve Plimpton (Sandia), sjplimp at sandia.gov +# Author: Steve Plimpton (Sandia), sjplimp at gmail.com import sys,os path = os.environ["LAMMPS_PYTHON_TOOLS"] diff --git a/tools/python/dump2xyz.py b/tools/python/dump2xyz.py index bf9f1a617f..aa6ab9e9f9 100755 --- a/tools/python/dump2xyz.py +++ b/tools/python/dump2xyz.py @@ -7,7 +7,7 @@ # Nid,Ntype,Nx,Ny,Nz = columns #s for ID,type,x,y,z # (usually 1,2,3,4,5) # xyzfile = new XYZ file -# Author: Steve Plimpton (Sandia), sjplimp at sandia.gov +# Author: Steve Plimpton (Sandia), sjplimp at gmail.com import sys,os path = os.environ["LAMMPS_PYTHON_TOOLS"] diff --git a/tools/python/dumpsort.py b/tools/python/dumpsort.py index 205d4de13a..040cdbd4a7 100755 --- a/tools/python/dumpsort.py +++ b/tools/python/dumpsort.py @@ -6,7 +6,7 @@ # oldfile = old LAMMPS dump file in native LAMMPS format # N = column # for atom ID (usually 1) # newfile = new sorted LAMMPS dump file -# Author: Steve Plimpton (Sandia), sjplimp at sandia.gov +# Author: Steve Plimpton (Sandia), sjplimp at gmail.com import sys,os path = os.environ["LAMMPS_PYTHON_TOOLS"] diff --git a/tools/python/log2txt.py b/tools/python/log2txt.py index acc9d61b73..5f4aa3908a 100755 --- a/tools/python/log2txt.py +++ b/tools/python/log2txt.py @@ -8,7 +8,7 @@ # data.txt = text file to create # X Y ... = columns to include (optional), X,Y are thermo keywords # if no columns listed, all columns are included -# Author: Steve Plimpton (Sandia), sjplimp at sandia.gov +# Author: Steve Plimpton (Sandia), sjplimp at gmail.com from __future__ import print_function diff --git a/tools/python/logplot.py b/tools/python/logplot.py index 858304f289..546bed51fe 100755 --- a/tools/python/logplot.py +++ b/tools/python/logplot.py @@ -6,7 +6,7 @@ # log.lammps = LAMMPS log file # X,Y = plot Y versus X where X,Y are thermo keywords # once plot appears, you are in Python interpreter, type C-D to exit -# Author: Steve Plimpton (Sandia), sjplimp at sandia.gov +# Author: Steve Plimpton (Sandia), sjplimp at gmail.com import sys,os,code path = os.environ["LAMMPS_PYTHON_TOOLS"] diff --git a/tools/python/neb_combine.py b/tools/python/neb_combine.py index 92a8b3f6f7..6b0d098e57 100755 --- a/tools/python/neb_combine.py +++ b/tools/python/neb_combine.py @@ -8,6 +8,7 @@ # can be in any order # -b dumpfile = background atoms (optional) # first snapshot in this file used as static non-NEB atoms +# Author: Steve Plimpton (Sandia), sjplimp at gmail.com import sys,os path = os.environ["LAMMPS_PYTHON_TOOLS"] diff --git a/tools/python/neb_final.py b/tools/python/neb_final.py index 6ba462df44..7b0cf3bdbb 100755 --- a/tools/python/neb_final.py +++ b/tools/python/neb_final.py @@ -8,6 +8,7 @@ # must be in correct sequence # -b dumpfile = background atoms (optional) # last snapshot in this file used as static non-NEB atoms +# Author: Steve Plimpton (Sandia), sjplimp at gmail.com import sys,os path = os.environ["LAMMPS_PYTHON_TOOLS"]