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Issues: PHOTOX/ABIN
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Use actions for setting up gnu and intel fortran compilers
testing
Any changes to Github Actions or testing scripts.
#176
opened Mar 13, 2024 by
danielhollas
Make sure we remove rotations at the beginning of SH trajectories
#154
opened Jan 10, 2023 by
danielhollas
Investigate numerical test failures on Hamilton 8
testing
Any changes to Github Actions or testing scripts.
#143
opened Aug 26, 2022 by
danielhollas
Validate global NHC thermostat, make it default for classical MD?
enhancement
#130
opened May 4, 2022 by
danielhollas
Investigate optimal value of tau0 for NHC thermostat
enhancement
#129
opened May 4, 2022 by
danielhollas
Run ABIN through Valgrind
testing
Any changes to Github Actions or testing scripts.
#112
opened Apr 18, 2022 by
danielhollas
Custom types for holding simulation state
refactor
No functional changes, just refactoring or cleaning up the code.
#107
opened Apr 3, 2022 by
danielhollas
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