move pair style mesocnt example to the USER-MESONT folder. unbundle potential file

2020-06-12 06:33:45 -04:00 · 2020-06-12 06:33:45 -04:00 · ba5e78b97a
parent d61d8899ff
commit ba5e78b97a
12 changed files with 14 additions and 6 deletions
--- a/examples/USER/mesont/C_10_10.mesocnt
+++ b/examples/USER/mesont/C_10_10.mesocnt
@ -0,0 +1 @@
+../../../potentials/C_10_10.mesocnt
--- a/examples/USER/mesont/MESONT-TABTP_10_10.xrs
+++ b/examples/USER/mesont/MESONT-TABTP_10_10.xrs
@ -1 +0,0 @@
-../../../potentials/MESONT-TABTP_10_10.xrs
--- a/examples/USER/mesont/README
+++ b/examples/USER/mesont/README
@ -1,13 +1,19 @@
 === USER-MESONT examples ===
 ===============================

-The files in this folder provide examples of using the CNT 
+The files in this folder provide examples of using the CNT
 mesoscopic force field (USER-MESONT).

 Contributing author: Maxim Shugaev (UVA), mvs9t@virginia.edu

+"bundle" is an example with a single bundle composed of 7 nanotubes
+using the mesont/tpm pair style

-"bundle" is an example with a single bundle composed of 7 nanotubes. 
+"film" is an example with a film composed of 396 200-nm-long
+nanotubes (79596 nodes) using the mesont/tpm pair style

-"film" is an example with a film composed of 396 200-nm-long 
-  nanotubes (79596 nodes).
+
+Contributing author: Philipp Kloza (U Cambridge), pak37@cam.ac.uk
+
+"cnt" is an example showing CNT aerogel formation
+using the mesocnt pair style
--- a/examples/USER/mesont/TABTP_10_10.mesont
+++ b/examples/USER/mesont/TABTP_10_10.mesont
@ -0,0 +1 @@
+../../../potentials/TABTP_10_10.mesont
--- a/examples/USER/misc/mesocnt/cnt.data
+++ b/examples/USER/misc/mesocnt/cnt.data
--- a/examples/USER/misc/mesocnt/in.cnt
+++ b/examples/USER/misc/mesocnt/in.cnt
--- a/examples/USER/misc/mesocnt/log.9Jan20.cnt.g++.1
+++ b/examples/USER/misc/mesocnt/log.9Jan20.cnt.g++.1
--- a/examples/USER/misc/mesocnt/log.9Jan20.cnt.g++.4
+++ b/examples/USER/misc/mesocnt/log.9Jan20.cnt.g++.4
--- a/examples/USER/misc/mesocnt/C_10_10.mesocnt
+++ b/examples/USER/misc/mesocnt/C_10_10.mesocnt
@ -1 +0,0 @@
-../../../../potentials/C_10_10.mesocnt
--- a/potentials/.gitignore
+++ b/potentials/.gitignore
@ -1 +1,2 @@
 C_10_10.mesocnt
+TABTP_10_10.mesont
--- a/potentials/MESONT-TABTP_10_10.xrs
+++ b/potentials/MESONT-TABTP_10_10.xrs
--- a/src/USER-MESONT/potentials.txt
+++ b/src/USER-MESONT/potentials.txt
@ -1,3 +1,4 @@
 # list of potential files to be fetched when this package is installed
 # potential file  md5sum
 C_10_10.mesocnt 028de73ec828b7830d762702eda571c1
+TABTP_10_10.mesont 744a739da49ad5e78492c1fc9fd9f8c1