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remove get_all_params()#101

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andreagrisafi merged 2 commits into
andreagrisafi:masterfrom
zekunlou:dev_remove_get_all_params
Jul 18, 2026
Merged

remove get_all_params()#101
andreagrisafi merged 2 commits into
andreagrisafi:masterfrom
zekunlou:dev_remove_get_all_params

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@zekunlou

@zekunlou zekunlou commented Jul 17, 2026

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For #100.

Function ParseConfig.get_all_params() is removed.

In each python script:

  • if a parameter is only used a few times, then it will be called via inp.xxx;
  • otherwise if it is used over and over again (e.g. inp.gpr.Menv is reused for 12 times in minimize_loss.py), its value will be assigned to a short but clear-named local variable.
    • Also for minimizing the changes introduced to the code.

Tested on FHI-aims water monomer example and passed.

@zekunlou
zekunlou marked this pull request as ready for review July 17, 2026 13:03
@zekunlou
zekunlou requested a review from andreagrisafi July 17, 2026 13:04
@andreagrisafi
andreagrisafi merged commit 8277f4f into andreagrisafi:master Jul 18, 2026
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