From 0b5f034699bf5b1e2deb8a92bd286012cc33d300 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Tue, 28 Jul 2015 15:21:59 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13752 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- potentials/README | 28 +++++++++++++++------------- 1 file changed, 15 insertions(+), 13 deletions(-) diff --git a/potentials/README b/potentials/README index 3cb45725ff..967ec41b18 100644 --- a/potentials/README +++ b/potentials/README @@ -36,26 +36,27 @@ new log file and see that the potential file changed, which could affect your simulation results. A small amount of metadata is included in the first line of each file -in order to track the provenance of each file. The metadata is indicated -by a keyword followed by white space, followed by the metadata, -followed by whitespace. The metadata is intended to be straightforward and -human-readable, while still conforming to a standard format. +in order to track the provenance of each file. The metadata is +indicated by a keyword followed by white space, followed by the +metadata, followed by whitespace. The metadata is intended to be +straightforward and human-readable, while still conforming to a +standard format. -DATE: Format is "yyyy-mm-dd". This indicates the date of a -significant change to the file. Multiple entries can -appear in reverse chronological order. As described -above, the first of these will be printed to the -screen and log file when it is read -by a LAMMPS input script. +DATE: Format is "yyyy-mm-dd". This indicates the date of a significant +change to the file. Multiple entries can appear in reverse +chronological order. As described above, the first of these will be +printed to the screen and log file when it is read by a LAMMPS input +script. CONTRIBUTOR: Format is "name[, email address]". This indicates the person who contributed the file and/or who is best able to provide more details about its provenance. -CITATION: Format is "surname[[, surname] and surname], Publication abbreviation -with spaces and no periods, volume, page[-page], (year)" +CITATION: Format is "surname[[, surname] and surname], Publication +abbreviation with spaces and no periods, volume, page[-page], (year)" -COMMENT: This one is optional and is used to hold any other text that can not go elsewhere. +COMMENT: This one is optional and is used to hold any other text that +can not go elsewhere. If the first line of the file is always skipped by the file reader, then the first line should begin with the DATE keyword. If the file @@ -89,6 +90,7 @@ meam modified EAM (MEAM) library and individual elements/alloys meam.spline modified EAM (MEAM) spline potential meam.sw.spline modified EAM (MEAM) Stillinger-Weber spline potential nb3b.harmonic nonbonded 3-body harmonic potential +poly polymorphic 3-body potential reax ReaxFF potential (see README.reax for more info) snap SNAP potential snapcoeff SNAP potential