Discussions

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  How to support the application of GAP potentials under GPU acceleration now

  1227658436 asked Apr 11, 2024 in Q&A · Answered

  

  

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  Building on darwin_arm64

  amdiggs asked Apr 4, 2024 in Q&A · Unanswered

  

  

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  make GAP string available in quippy

  richardjana started Mar 9, 2023 in Ideas

  

  

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  Fitting GAP with DFT VASP training sets

  ap439111 asked Jun 2, 2021 in Q&A · Unanswered

  

  

  

  

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  FAQ - Error Messages

  Sideboard started Oct 24, 2022 in General

  

  

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  How do I build an quip_params.xml parameter file?

  Jeffery-Li0513 asked Sep 8, 2022 in Q&A · Unanswered

  

  

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  The stress_parameter_name

  laigner asked Aug 24, 2022 in Q&A · Answered

  

  

  

  

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  input parameters for gap_fit

  netscape88 asked Mar 9, 2022 in Q&A · Unanswered

  

  

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  How do I install gap_si_surface

  makinzm asked Feb 9, 2022 in Q&A · Unanswered

  

  

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  need quip_params.xml in quip_wrapper_simple_example.f95

  netscape88 asked Jan 28, 2022 in Q&A · Unanswered

  

  

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  Sparse configurations in the index file and specifying custom sparse configurations

  salmanak31 asked Dec 22, 2021 in Q&A · Unanswered

  

  

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  Best way to register array parameters that can default to single scalar

  mcaroba started Aug 14, 2021 in General

  

  

  

  

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  License for some of the libAtom code files

  mcaroba asked Mar 30, 2021 in Q&A · Unanswered

  

  

  

  

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  Fitting GAP virials from lammps simulation

  MarcBrueck asked Jan 28, 2021 in Q&A · Answered

  

  

  

  

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  Order of the virial matrix components

  MarcBrueck asked Jan 22, 2021 in Q&A · Answered

  

  

  

  

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  How to run EAM calculations

  mcaroba asked Dec 10, 2020 in Q&A · Answered

  

  

  

  

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  Welcome to QUIP Discussions!

  jameskermode started Dec 10, 2020 in General

  

  

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