Output a screen notice when calculating EXX force/stress - #7975
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In hybrid-functional (e.g. HSE) calculations with force/stress, Exx_LRI::cal_exx_force/cal_exx_stress can dominate the runtime while producing no screen output, leaving users with the impression that the program is stuck after SCF finishes. Print a NOTICE line on screen before the EXX force/stress computation in LCAO_domain::cal_exx_fs, following the existing std::cout notice style in ESolver_KS_LCAO. Screen-only output keeps the PR-level global dependency budget non-increasing. Closes deepmodeling#6595
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What this PR does
Closes #6595.
In hybrid-functional (e.g. HSE) calculations with force/stress,
Exx_LRI::cal_exx_force/cal_exx_stresscan dominate the runtime (in the issue reporter's case 56% of total wall time) while producing no screen output, leaving users — especially after SCF finishes — with the impression that the program is stuck.This PR prints a one-line notice on screen before the EXX force/stress computation in
LCAO_domain::cal_exx_fs(source/source_lcao/force_stress_terms.cpp):The output follows the existing
std::coutnotice style already used inESolver_KS_LCAO(e.g. the Gint mixed-precision NOTICE). The notice is screen-only (noGlobalV::ofs_runningwrite) to keep the PR-level global dependency budget non-increasing — an earlier version writing to the running log was flagged as an ERROR byagent_governance_check.py --staged.