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update custom easyblock for NAMD for version >= 3.0 #3248

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update custom easyblock for NAMD for version >= 3.0 #3248

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Commits on Mar 4, 2024

  1. Update namd.py to run successfully NAMD-3.0b6-foss-2023a-mpi.eb

    @tanmoy1989
    tanmoy1989 committed Mar 4, 2024
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Commits on Mar 5, 2024

  1. Update namd.py - I have revised the code as per suggestions. Please l… 

    …et me know if there are further issues.
    @tanmoy1989
    tanmoy1989 authored Mar 5, 2024
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  2. Update namd.py - making further changes 

    Just modified a trailing whitespace suggested by the hound
    @tanmoy1989
    tanmoy1989 authored Mar 5, 2024
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  3. Update namd.py - blank line deleted 

    Blank line was deleted suggested by the hound
    @tanmoy1989
    tanmoy1989 authored Mar 5, 2024
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Commits on Mar 13, 2024

  1. Update namd.py 

    Fixing a whitespace
    @tanmoy1989
    tanmoy1989 authored Mar 13, 2024
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Commits on Mar 14, 2024

  1. Update namd.py 

    Made a small at line 148 (added "-", "-v") as suggested by the reviewer.
    @tanmoy1989
    tanmoy1989 authored Mar 14, 2024
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