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Tweaked input to match snap/in.snap.compute

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This commit is contained in:
Aidan Thompson
2020-07-01 17:06:55 -06:00
parent c57564252c
commit 7350dd61d5
2 changed files with 2 additions and 2 deletions
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2
examples/mliap/compute.mliap.descriptor
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@ -16,4 +16,4 @@ welems 1.0 0.96
rfac0 0.99363 rfac0 0.99363
rmin0 0 rmin0 0
bzeroflag 0 bzeroflag 0
switchflag 0

2
examples/mliap/in.mliap.snap.compute
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@ -84,7 +84,7 @@ thermo 100
thermo_style custom & thermo_style custom &
pe pxy c_bsum2[1] c_vbsum[60] v_db_2_30 & pe pxy c_bsum2[1] c_vbsum[60] v_db_2_30 &
c_snap[1][11] c_snap[13][11] c_snap[1][6] c_snap[13][10] c_snap[7][10] c_snap[1][13] c_snap[13][13] c_snap[1][8] c_snap[13][12] c_snap[7][12]
thermo_modify norm no thermo_modify norm no
# dump mydump_db all custom 1000 dump_db id c_db[*] # dump mydump_db all custom 1000 dump_db id c_db[*]