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symlink potentials

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This commit is contained in:
Axel Kohlmeyer
2024-08-12 21:58:51 -04:00
parent a4bff8988b
commit 5bcfed5fce
6 changed files with 49 additions and 46 deletions
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1
examples/PACKAGES/interlayer/aip_water_2dm/COH.DMC.aip.water.2dm Symbolic link
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@ -0,0 +1 @@
../../../../potentials/COH.DMC.aip.water.2dm

2
examples/PACKAGES/interlayer/aip_water_2dm/in.gr_water
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@ -18,7 +18,7 @@ pair_coeff 1 1 none
pair_coeff 2 2 lj/cut/tip4p/long 8.0313e-3 3.1589 # O-O
pair_coeff 2 3 lj/cut/tip4p/long 0.0 0.0 # O-H
pair_coeff 3 3 lj/cut/tip4p/long 0.0 0.0 # H-H
pair_coeff * * aip/water/2dm COH.aip.water.2dm C Ow Hw # C-H2O
pair_coeff * * aip/water/2dm COH.DMC.aip.water.2dm C Ow Hw # C-H2O
# bond and angle
bond_style harmonic
bond_coeff 1 0.0 0.9572

2
examples/PACKAGES/interlayer/aip_water_2dm/in.gr_water.opt
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@ -18,7 +18,7 @@ pair_coeff 1 1 none
pair_coeff 2 2 lj/cut/tip4p/long 8.0313e-3 3.1589 # O-O
pair_coeff 2 3 lj/cut/tip4p/long 0.0 0.0 # O-H
pair_coeff 3 3 lj/cut/tip4p/long 0.0 0.0 # H-H
pair_coeff * * aip/water/2dm/opt COH.aip.water.2dm C Ow Hw # C-H2O
pair_coeff * * aip/water/2dm/opt COH.DMC.aip.water.2dm C Ow Hw # C-H2O
# bond and angle
bond_style harmonic
bond_coeff 1 0.0 0.9572

1
examples/PACKAGES/pafi/Fe_mm.eam.fs Symbolic link
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@ -0,0 +1 @@
../../../potentials/Fe_mm.eam.fs

1
examples/PACKAGES/ti/Cu_mishin1.eam.alloy Symbolic link
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../../../potentials/Cu_mishin1.eam.alloy

0
potentials/CBNOH.aip.water.2dm Executable file → Normal file
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