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MPSD Computational Science
MPSD HPC examples
Merge requests
!8
Draft: Add octopus compilation example
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Closed
Draft: Add octopus compilation example
add-octopus-compilation-example
into
main
Overview
15
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10
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3
3 unresolved threads
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Closed
Ashwin Kumar Karnad
requested to merge
add-octopus-compilation-example
into
main
1 year ago
Overview
15
Commits
10
Changes
3
3 unresolved threads
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0
0
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main
version 5
9f0ce7c0
1 year ago
version 4
bdce949c
1 year ago
version 3
bec4fff1
1 year ago
version 2
683b1c69
1 year ago
version 1
db63e084
1 year ago
main (base)
and
latest version
latest version
d2fb0fba
10 commits,
1 year ago
version 5
9f0ce7c0
9 commits,
1 year ago
version 4
bdce949c
8 commits,
1 year ago
version 3
bec4fff1
7 commits,
1 year ago
version 2
683b1c69
2 commits,
1 year ago
version 1
db63e084
1 commit,
1 year ago
3 files
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168
−
0
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slurm-examples/octopus-compilation/examples/benzene/benzene.xyz
0 → 100644
+
14
−
0
Options
12
Geometry of benzene (in Angstrom)
C 0.000 1.396 0.000
C 1.209 0.698 0.000
C 1.209 -0.698 0.000
C 0.000 -1.396 0.000
C -1.209 -0.698 0.000
C -1.209 0.698 0.000
H 0.000 2.479 0.000
H 2.147 1.240 0.000
H 2.147 -1.240 0.000
H 0.000 -2.479 0.000
H -2.147 -1.240 0.000
H -2.147 1.240 0.000
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