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

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Axel Kohlmeyer 2020-06-12 06:33:45 -04:00
parent d61d8899ff
commit ba5e78b97a
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12 changed files with 14 additions and 6 deletions
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examples/USER/mesont/C_10_10.mesocnt Symbolic link
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../../../potentials/C_10_10.mesocnt

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examples/USER/mesont/MESONT-TABTP_10_10.xrs
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../../../potentials/MESONT-TABTP_10_10.xrs

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examples/USER/mesont/README
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@ -6,8 +6,14 @@ mesoscopic force field (USER-MESONT).
Contributing author: Maxim Shugaev (UVA), mvs9t@virginia.edu Contributing author: Maxim Shugaev (UVA), mvs9t@virginia.edu
"bundle" is an example with a single bundle composed of 7 nanotubes
"bundle" is an example with a single bundle composed of 7 nanotubes. using the mesont/tpm pair style
"film" is an example with a film composed of 396 200-nm-long "film" is an example with a film composed of 396 200-nm-long
nanotubes (79596 nodes). nanotubes (79596 nodes) using the mesont/tpm pair style
Contributing author: Philipp Kloza (U Cambridge), pak37@cam.ac.uk
"cnt" is an example showing CNT aerogel formation
using the mesocnt pair style

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examples/USER/mesont/TABTP_10_10.mesont Symbolic link
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../../../potentials/TABTP_10_10.mesont

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examples/USER/misc/mesocnt/cnt.data → examples/USER/mesont/cnt.data
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examples/USER/misc/mesocnt/in.cnt → examples/USER/mesont/in.cnt
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examples/USER/misc/mesocnt/log.9Jan20.cnt.g++.1 → examples/USER/mesont/log.9Jan20.cnt.g++.1
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examples/USER/misc/mesocnt/log.9Jan20.cnt.g++.4 → examples/USER/mesont/log.9Jan20.cnt.g++.4
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examples/USER/misc/mesocnt/C_10_10.mesocnt
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../../../../potentials/C_10_10.mesocnt

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potentials/.gitignore vendored
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C_10_10.mesocnt C_10_10.mesocnt
TABTP_10_10.mesont

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potentials/MESONT-TABTP_10_10.xrs → potentials/TABTP_10_10.mesont
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src/USER-MESONT/potentials.txt
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# list of potential files to be fetched when this package is installed # list of potential files to be fetched when this package is installed
# potential file md5sum # potential file md5sum
C_10_10.mesocnt 028de73ec828b7830d762702eda571c1 C_10_10.mesocnt 028de73ec828b7830d762702eda571c1
TABTP_10_10.mesont 744a739da49ad5e78492c1fc9fd9f8c1