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Datasets:
USTC-KnowledgeComputingLab
/
qmb-models
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USTC-KnowledgeComputingLab
10
Size:
100M<n<1B
License:
gpl-3.0
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Files
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xet
Community
main
qmb-models
/
ya_N2_cc_pvdz_PES_14_56
14 MB
1 contributor
History:
2 commits
hzhangxyz
Update the format of FCIDUMP ref energy to yaml.
479173e
verified
9 months ago
0.8.FCIDUMP.gz
Safe
497 kB
xet
Add N2 PES data.
10 months ago
0.9.FCIDUMP.gz
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532 kB
xet
Add N2 PES data.
10 months ago
1.0.FCIDUMP.gz
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548 kB
xet
Add N2 PES data.
10 months ago
1.09.FCIDUMP.gz
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545 kB
xet
Add N2 PES data.
10 months ago
1.2.FCIDUMP.gz
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778 kB
xet
Add N2 PES data.
10 months ago
1.4.FCIDUMP.gz
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843 kB
xet
Add N2 PES data.
10 months ago
1.6.FCIDUMP.gz
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881 kB
xet
Add N2 PES data.
10 months ago
1.8.FCIDUMP.gz
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880 kB
xet
Add N2 PES data.
10 months ago
2.0.FCIDUMP.gz
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921 kB
xet
Add N2 PES data.
10 months ago
2.2.FCIDUMP.gz
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939 kB
xet
Add N2 PES data.
10 months ago
2.4.FCIDUMP.gz
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1.06 MB
xet
Add N2 PES data.
10 months ago
2.6.FCIDUMP.gz
Safe
1.28 MB
xet
Add N2 PES data.
10 months ago
2.8.FCIDUMP.gz
1.3 MB
xet
Add N2 PES data.
10 months ago
3.0.FCIDUMP.gz
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1.5 MB
xet
Add N2 PES data.
10 months ago
3.2.FCIDUMP.gz
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1.51 MB
xet
Add N2 PES data.
10 months ago
FCIDUMP.yaml
Safe
299 Bytes
Update the format of FCIDUMP ref energy to yaml.
9 months ago
