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Pull requests: HPQC-LABS/AI_ENERGIES

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Pull requests list

add pyscf-mrcc calculations for N/NR/AE
#14 opened Aug 7, 2025 by simran054 Loading…
1
Adding output files for N, N+ and N2+ calculations
#12 opened Mar 26, 2024 by HemanthHaridas Loading…
1
Summary of the results for the oxygen atom (O) using CFOUR
#10 opened Mar 25, 2024 by JaafarMehrez Loading…
12
output files for CCSD matching with Harding data
#8 opened Apr 25, 2023 by arclaw-rgb Loading…
Added BH3 output file
#6 opened Apr 12, 2023 by CodeAnt100 Loading…
2
Add CH2O and CH2O+ files
#3 opened Apr 10, 2023 by JLauCT Loading…
1
Suhwan
#1 opened Feb 7, 2018 by nesquik91 Loading…
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