AlexandriaChemistry/ACT

Code cleaning and documentation

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#1 290 ouverte le 5 avr. 2026

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documentationenhancementgood first issuehelp wantedstyle

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 (Merge moyen 5h 29m) (15 PRs mergées en 30 j)

Description

Obviously this is a never-ending topic, but this is to combine a couple previous issues into one, which can then be closed

  • Issue #11 remove GROMACS history
  • Issue #1207 remove GMX_THROW from code
  • Issue #1163 get rid of const char *
  • Issue #690 more descriptive information to users
  • Issue #389 clean up enum duplication
  • Issue #362 resolve TODO and FIXME
  • Issue #259 print information about compilation
  • Issue #979 communication about incorrect input, e.g. no data to train on
  • Issue #1216
  • Add index to manual.

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