diff --git a/examples/USER/mesont/C_10_10.mesocnt b/examples/USER/mesont/C_10_10.mesocnt new file mode 120000 index 0000000000..cddcea6613 --- /dev/null +++ b/examples/USER/mesont/C_10_10.mesocnt @@ -0,0 +1 @@ +../../../potentials/C_10_10.mesocnt \ No newline at end of file diff --git a/examples/USER/mesont/MESONT-TABTP_10_10.xrs b/examples/USER/mesont/MESONT-TABTP_10_10.xrs deleted file mode 120000 index 9325ee372f..0000000000 --- a/examples/USER/mesont/MESONT-TABTP_10_10.xrs +++ /dev/null @@ -1 +0,0 @@ -../../../potentials/MESONT-TABTP_10_10.xrs \ No newline at end of file diff --git a/examples/USER/mesont/README b/examples/USER/mesont/README index 9acc913257..ffbc667120 100644 --- 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 diff --git a/examples/USER/mesont/TABTP_10_10.mesont b/examples/USER/mesont/TABTP_10_10.mesont new file mode 120000 index 0000000000..99fb250140 --- /dev/null +++ b/examples/USER/mesont/TABTP_10_10.mesont @@ -0,0 +1 @@ +../../../potentials/TABTP_10_10.mesont \ No newline at end of file diff --git a/examples/USER/misc/mesocnt/cnt.data b/examples/USER/mesont/cnt.data similarity index 100% rename from examples/USER/misc/mesocnt/cnt.data rename to examples/USER/mesont/cnt.data diff --git a/examples/USER/misc/mesocnt/in.cnt b/examples/USER/mesont/in.cnt similarity index 100% rename from examples/USER/misc/mesocnt/in.cnt rename to examples/USER/mesont/in.cnt diff --git a/examples/USER/misc/mesocnt/log.9Jan20.cnt.g++.1 b/examples/USER/mesont/log.9Jan20.cnt.g++.1 similarity index 100% rename from examples/USER/misc/mesocnt/log.9Jan20.cnt.g++.1 rename to examples/USER/mesont/log.9Jan20.cnt.g++.1 diff --git a/examples/USER/misc/mesocnt/log.9Jan20.cnt.g++.4 b/examples/USER/mesont/log.9Jan20.cnt.g++.4 similarity index 100% rename from examples/USER/misc/mesocnt/log.9Jan20.cnt.g++.4 rename to examples/USER/mesont/log.9Jan20.cnt.g++.4 diff --git a/examples/USER/misc/mesocnt/C_10_10.mesocnt b/examples/USER/misc/mesocnt/C_10_10.mesocnt deleted file mode 120000 index f9a51e6428..0000000000 --- a/examples/USER/misc/mesocnt/C_10_10.mesocnt +++ /dev/null @@ -1 +0,0 @@ -../../../../potentials/C_10_10.mesocnt \ No newline at end of file diff --git a/potentials/.gitignore b/potentials/.gitignore index 53745bf4c4..37cca93df6 100644 --- a/potentials/.gitignore +++ b/potentials/.gitignore @@ -1 +1,2 @@ C_10_10.mesocnt +TABTP_10_10.mesont diff --git a/potentials/MESONT-TABTP_10_10.xrs b/potentials/TABTP_10_10.mesont similarity index 100% rename from potentials/MESONT-TABTP_10_10.xrs rename to potentials/TABTP_10_10.mesont diff --git a/src/USER-MESONT/potentials.txt b/src/USER-MESONT/potentials.txt index 4d4120a2a2..c762731f52 100644 --- 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