Code

extended LAMMPS commands support#3

Code

Merged

cz4rs merged 26 commits intomasterDARMA-tasking/CabanaMD:masterfrom extended-lammps-supportDARMA-tasking/CabanaMD:extended-lammps-supportCopy head branch name to clipboardOct 9, 2024

+415-123

Commits

Commits on Sep 25, 2024

• Update clang format to match Cabana

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  streeve

  committed
  8a406e6

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• apply new format

  streeve

  committed
  eafa26a

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Commits on Oct 4, 2024

• Merge pull request ECP-copa#117 from streeve/update_format

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  streeve

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  f6279ff

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Commits on Oct 7, 2024

• Print number of particles sent and received

  cz4rs

  committed
  3a7c1e1

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• Add basic support for group command

  cz4rs

  committed
  d1be7d1

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• Update .gitignore

  cz4rs

  committed
  766fad7

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• Use a struct for storing region coordinates

  cz4rs

  committed
  3792555

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• Add ParaView script for automated data processing

  cz4rs

  committed
  ce06bbe

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• Allow boxes with non-zero offset

  cz4rs

  committed
  a64f6c4

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• Use two atom types

  cz4rs

  committed
  4be9ba4

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• Use different velocities depending on atom type

  cz4rs

  committed
  4e542df

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• Support multiple regions

  cz4rs

  committed
  fa3739a

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• Decide atom type based on region

  cz4rs

  committed
  43c314c

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• Add customized input deck

  cz4rs

  committed
  8f4360d

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• Fix formatting

  cz4rs

  committed
  a884201

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• Use 4 digits in data files by default

  cz4rs

  committed
  b253d73

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• Fix compatibility with original decks

  cz4rs

  committed
  0d274d9

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• Add missing default

  cz4rs

  committed
  94e06f3

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• Allow empty regions

  cz4rs

  committed
  af5cd5e

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• Rename load balancing deck

  cz4rs

  committed
  7f58084

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• Move ParaView script to utils

  cz4rs

  committed
  65bb0bc

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• Drop redundant comments

  cz4rs

  committed
  091690c

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• Fix formatting

  cz4rs

  committed
  a2d0f1c

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Commits on Oct 8, 2024

• Extract summary printing into a method

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  cz4rs

  committed
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• Make communication statistics consistent with other output

  cz4rs

  committed
  7334d3b

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Commits on Oct 9, 2024

• Apply suggestions from code review

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  cz4rs

  and

  streeve

  authored
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