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fix: count CP2K successes once
Coding-Agent: Codex Codex-Version: codex-cli 0.151.0 Model: gpt-5.6-sol Reasoning-Effort: xhigh
1 parent 01581e9 commit e3e6094

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dpgen/generator/run.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -4512,7 +4512,7 @@ def post_fp_cp2k(iter_index, jdata, rfailed=None):
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all_sys.append(_sys)
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icount += 1
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icount += len(all_sys)
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# Each converged output increments icount exactly once in the loop above.
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if (all_sys is not None) and (len(all_sys) > 0):
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sys_data_path = os.path.join(work_path, f"data.{ss}")
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all_sys.to_deepmd_raw(sys_data_path)

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