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Merge branch 'ilp-tmd-update' of github.com:oywg11/lammps into collected-small-fixes

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Axel Kohlmeyer
2023-12-22 14:45:43 -05:00
parent 8cf958e241 e98df7018b
commit 4ea40ed2fd
7 changed files with 41 additions and 12 deletions
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1
examples/PACKAGES/interlayer/ilp_tmds/MoS2.ILP
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../../../../potentials/MoS2.ILP

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examples/PACKAGES/interlayer/ilp_tmds/TMD.ILP Symbolic link
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../../../../potentials/TMD.ILP

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examples/PACKAGES/interlayer/ilp_tmds/in.mos2
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@ -12,7 +12,7 @@ mass 4 95.94
pair_style hybrid/overlay sw/mod sw/mod ilp/tmd 16.0
pair_coeff * * sw/mod 1 tmd.sw.mod Mo S S NULL NULL NULL
pair_coeff * * sw/mod 2 tmd.sw.mod NULL NULL NULL Mo S S
pair_coeff * * ilp/tmd MoS2.ILP Mo S S Mo S S
pair_coeff * * ilp/tmd TMD.ILP Mo S S Mo S S
# Calculate the pair potential
compute 0 all pair ilp/tmd