Discussions

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  RAM utilization inefficiency

  Nourheikal asked May 22, 2025 in Q&A · Closed · Unanswered

  

  

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  NWChem for Apple Silicon Macs

  isolated-matrix started Mar 4, 2025 in General

  

  

  

  

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  Reduce the number of compilation warnings

  rpseng started Mar 21, 2025 in Ideas

  

  

  

  

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  COSMO cavity construction options in NWChem

  rpseng started Mar 17, 2025 in General

  

  

  

  

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  negative frequency using the grid huge

  DrKNiu asked Oct 6, 2024 in Q&A · Closed · Unanswered

  

  

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  Master no longer passing tests

  lachlanbelcher asked Apr 19, 2023 in Q&A · Closed · Answered

  

  

  

  

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  Support build with unbundled libraries

  marcindulak started Nov 4, 2023 in General

  

  

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  Hello from the NERSC software-squad!

  jscook2345 started May 19, 2023 in General · Closed

  

  

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  derived type variable error

  lachlanbelcher asked Apr 26, 2023 in Q&A · Closed · Unanswered

  

  

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  Known working configuration for Perlmutter? Mpich

  etpalmer63 asked May 1, 2023 in Q&A · Answered

  

  

  

  

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  Number of functions in 3-21G* basis set

  MarceloM-lo started Mar 9, 2023 in General · Closed

  

  

  

  

  14
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  signature and checksum mismatch

  lachlanbelcher started Jan 26, 2023 in General · Closed

  

  

  

  

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  v7.2.0-beta2

  nwchemgit started Jan 20, 2023 in General

  

  

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  QM tests for new features

  lachlanbelcher asked Nov 24, 2022 in Q&A · Closed · Unanswered

  

  

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  Best procedure for NAMD

  koroki asked Sep 30, 2022 in Q&A · Closed · Unanswered

  

  

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  Old Nwchem site advertising questionable software?

  osbama started Nov 30, 2020 in General · Closed

  

  

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