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feat: support assigning ncpus for qmcalc #216

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merged 2 commits into from
May 25, 2024

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@njzjz njzjz commented May 25, 2024

Fix #196.

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codecov bot commented May 25, 2024

Codecov Report

Attention: Patch coverage is 75.00000% with 1 lines in your changes are missing coverage. Please review.

Project coverage is 89.05%. Comparing base (e76b413) to head (a31bea0).

Files Patch % Lines
mddatasetbuilder/qmcalc.py 75.00% 1 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##           master     #216      +/-   ##
==========================================
- Coverage   89.17%   89.05%   -0.12%     
==========================================
  Files           7        7              
  Lines         656      658       +2     
==========================================
+ Hits          585      586       +1     
- Misses         71       72       +1     

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@njzjz njzjz merged commit 5579eff into tongzhugroup:master May 25, 2024
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@njzjz njzjz deleted the qmcalc_cpu_num branch May 25, 2024 22:35
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qmcalc always occupies all the cpus
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