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8 Open 15 Closed
8 Open 15 Closed
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Issues list

Track total SCF calls across restarts enhancement New feature or request
#52 opened Oct 3, 2024 by ltimmerman3
Incremental reading of static files in socket calculation enhancement New feature or request
#51 opened Sep 23, 2024 by alchem0x2A
Segmentation fault when running socket in run mode b with OFDFT. bug Something isn't working
#50 opened Sep 21, 2024 by ltimmerman3
1
Migration to ASE 3.23 enhancement New feature or request
#48 opened Sep 19, 2024 by alchem0x2A
1 of 13 tasks
check_socket_compatibility fails with srun on more than one processor bug Something isn't working
#46 opened Aug 22, 2024 by ltimmerman3
10
Fail to convert a bundle with only input files to ase object when include_all_files=True bug Something isn't working
#45 opened Apr 11, 2024 by alchem0x2A
Overwriting of output files (low priority) bug Something isn't working
#43 opened Mar 15, 2024 by ltimmerman3
1
Additional DFT calls during ASE-geometric optimization
#20 opened Jun 24, 2023 by alchem0x2A
@alchem0x2A
6
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