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Shirong Wang
pyAutoMR
Commits
fb77913b
Commit
fb77913b
authored
Jul 03, 2021
by
hebrewsnabla
Browse files
update frag
parent
26487447
Changes
2
Hide whitespace changes
Inline
Side-by-side
examples/frag0.gjf
View file @
fb77913b
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@@ -4,7 +4,7 @@
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@@ -4,7 +4,7 @@
title
title
0
0
0
1
H 0.00000 0.00000 0.00000
H 0.00000 0.00000 0.00000
O 0.00000 0.00000 1.00000
O 0.00000 0.00000 1.00000
H 0.00000 0.00000 3.00000
H 0.00000 0.00000 3.00000
...
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examples/frag1.gjf
View file @
fb77913b
...
@@ -4,7 +4,7 @@
...
@@ -4,7 +4,7 @@
title
title
0
0
0
1
O 0.00000 0.00000 2.00000
O 0.00000 0.00000 2.00000
-O -H
-O -H
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