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Commits on Apr 19, 2024

• Version bump and fixed README

  brianjimenez

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  153298f

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• Merge pull request #18 from lightdock/issue_17

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  brianjimenez

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  31d58e5

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• Updated README to current version

  brianjimenez

  committed
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• Example from LightDock-Rust tutorial for version 0.9.4

  brianjimenez

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• Adapted 1ppe example

  brianjimenez

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• Create swarm dir if it doesn't exist

  brianjimenez

  committed
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• Improved error message when setup file not found

  brianjimenez

  committed
  224205e

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• Merge pull request #15 from szabgab/patch-1

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  brianjimenez

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• Merge branch 'master' into patch-1

  brianjimenez

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• Merge pull request #16 from lightdock/0.3.1

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  brianjimenez

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Commits on Apr 18, 2024

• Update Cargo.toml add respository

  szabgab

  authored
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Commits on Apr 17, 2024

• cargo fmt

  brianjimenez

  committed
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Commits on Apr 16, 2024

• Prepare Cargo.toml for publising crate

  brianjimenez

  committed
  54a7f4a

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• Removed unused lifetime

  brianjimenez

  committed
  13b882c

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• Use npyz without deprecated API

  brianjimenez

  committed
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• Allow some Clippy lints

  brianjimenez

  committed
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Commits on Apr 15, 2024

• Merge pull request #14 from wjs20/fixed-failing-tests

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  brianjimenez

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• Merge pull request #12 from wjs20/change-swarm-output-directory

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  brianjimenez

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• Merge branch 'master' into change-swarm-output-directory

  brianjimenez

  authored
  3d8e58e

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• Fixed failing tests

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  wjs20

  committed
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Commits on Apr 2, 2024

• Clippy suggestions

  brianjimenez

  committed
  fc77b2d

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• Updated lib versions and replaced npy by npyz

  brianjimenez

  committed
  f72bc78

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• Merge pull request #13 from lightdock/0.3.0

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  brianjimenez

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Commits on Mar 11, 2024

• Fixed issue with nested paths

  wjs20

  committed
  edb6c37

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Commits on Mar 10, 2024

• Changed swarm output directory to be the current swarm id

  wjs20

  committed
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Commits on Mar 18, 2023

• Create rust.yml

  brianjimenez

  authored
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Commits on Oct 5, 2022

• Merge pull request #7 from lightdock/dummy

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  brianjimenez

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• Merge pull request #6 from lightdock/pydock

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  brianjimenez

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• Branch 0.3.0

  brianjimenez

  committed
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Commits on Jul 29, 2022

• Merge pull request #5 from inc0/pydock

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  brianjimenez

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  171d0b9

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• add logging through env_logger

  

  Michal Jastrzebski

  committed
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Commits on Jul 19, 2022

• DFIRE accepting now dummy beads

  brianjimenez

  committed
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Commits on Jul 12, 2022

• Replaced lib3dmol->pdbtbx

  brianjimenez

  committed
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Commits on Jun 15, 2022

• Added fluorine generic

  brianjimenez

  committed
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Commits on Jun 14, 2022

• Generic charges

  brianjimenez

  committed
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