Add optional namelist / parameter dump for debugging and reproducibility#109
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aoymt wants to merge 2 commits into
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Add optional namelist / parameter dump for debugging and reproducibility#109aoymt wants to merge 2 commits into
aoymt wants to merge 2 commits into
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Summary
This pull request adds routines that print effective namelist and related control variables to standard output (typically unit 6), gated so only rank 0 writes in parallel runs. The intent is to make it easier to verify which parameters a given binary actually used and to improve reproducibility when sharing logs.
What changed
Core implementation
src/m_common/allio.f90: Introduces a family ofdump_parameters_*subroutines (e.g. simulation, pseudo, readio, VMC, DMC/LRDMC, optimization, unused, link, fitpar, dynamic, k-points, molecular, and related groups) that echo the corresponding variables with clear section headers.Read data
src/b_complex/read_datas.f90: Adds a section-awaredump_parametersentry point (and related wiring) so dumps can be tied to named input sections where appropriate. This file also contains a substantial refactor alongside the new dump calls.Call sites
Behavior notes
Output is intended for human-readable logs; expect verbose stdout when these paths run. If this becomes noisy for production, consider guarding dumps behind a namelist flag or compile-time option in a follow-up.