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add UNITS keyword comments to fix qeq parameter files

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This commit is contained in:
Axel Kohlmeyer
2021-04-18 04:02:18 -04:00
parent ab3303ed7b
commit 6f343aaeed
2 changed files with 2 additions and 0 deletions
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1
examples/qeq/param.qeq1
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@ -1,3 +1,4 @@
# UNITS: real
1 5.3200 14.8732 1.0206 0.0 0.0 1 5.3200 14.8732 1.0206 0.0 0.0
2 5.8678 14.0000 0.9000 0.0 0.0 2 5.8678 14.0000 0.9000 0.0 0.0
3 8.5000 17.9978 1.0503 0.0 0.0 3 8.5000 17.9978 1.0503 0.0 0.0

1
examples/qeq/param.qeq2
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@ -1,2 +1,3 @@
# UNITS: metal
1 0.00000 7.25028 0.01 0.772871 0.000000 1 0.00000 7.25028 0.01 0.772871 0.000000
2 11.26882 15.37920 0.01 0.243072 0.000000 2 11.26882 15.37920 0.01 0.243072 0.000000