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Pull requests: logsdail/carmm

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Pull requests list

Changed the main.yml file to specifically install ase version 3.24.
#190 opened Jan 8, 2025 by AkashHiregange Loading…
8
Neighbors Update
#183 opened Oct 2, 2024 by GaryLZW Loading…
1
Disable scaled positions
#178 opened Aug 15, 2024 by GaryLZW Loading…
12
Adjust location of .out file for Mulliken extraction
#171 opened Jul 9, 2024 by ikowalec Loading…
1
Always check stress in is_converged() if present in results
#168 opened Jun 17, 2024 by ikowalec Loading…
2
[WIP] reintroduced task farmed NEBs to workflows
#139 opened Jan 22, 2024 by ikowalec Loading…
1
JW test push
#126 opened Aug 16, 2023 by JackWarren23 Loading…
1
GCN.py
#125 opened Aug 16, 2023 by lucahowles Loading…
4
Update analyse_mulliken_difference.py
#113 opened Jun 28, 2023 by kush2803 Loading…
1
files for mulliken_difference test
#112 opened Jun 28, 2023 by kush2803 Loading…
2
files for mulliken difference file
#111 opened Jun 21, 2023 by kush2803 Loading…
1
Nuffield
#40 opened Sep 1, 2021 by owainbeynon Loading…
2
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