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Commits on Feb 24, 2026

• Remove deprecated requirements-dev.txt

  JMorado

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• Bump to version 0.1.3.

  JMorado

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  9d428a2

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• Update badges and repo url.

  JMorado

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• Remove mypy from CI

  JMorado

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• Add CI pipeline

  JMorado

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• Misc updates.

  JMorado

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• Fix numpy version.

  JMorado

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• Add unit tests for grid, partitioning, CLI, formatting, and I/O.

  JMorado

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• Implement dispersion coefficient and energy calculations, and add MBIS tests.

  JMorado

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Commits on Feb 23, 2026

• Add geometry utilities for computing distance matrices

  JMorado

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• Add tabular data for atomic polarizabilities

  JMorado

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• Update README.

  JMorado

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  b5d9445

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• Move tests to pyxdm dir

  JMorado

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  33c0ac9

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• Remove hirshfeld tests.

  JMorado

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• Refactor imports.

  JMorado

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• Add MBIS tests

  JMorado

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Commits on Dec 4, 2025

• Add testing data

  JMorado

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• More robust custom grid utilities.

  JMorado

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  e9cc39b

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• Fix installation command

  JMorado

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• Add test __init__

  JMorado

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• Update installation scripts

  JMorado

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• Add requirements for devs

  JMorado

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• Ruff formatting.

  JMorado

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• Output nan for nelec if populations are not calculated

  JMorado

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• Update logo

  JMorado

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• Update README

  JMorado

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• Update README with logo

  JMorado

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Commits on Dec 3, 2025

• Add GPL v3 license badge to README

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  JMorado

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• Add GNU GPL v3 license file

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  JMorado

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• Create proatomdb dir

  JMorado

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Commits on Nov 14, 2025

• General cleanup

  JMorado

  committed
  b35b390

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• Update README

  JMorado

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  b0cf443

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• Update README

  JMorado

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  b6fff40

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• Bump version to 0.1.2

  JMorado

  committed
  87f3e67

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• Speed-up calculation of XDM moments for Hirshfeld and Becke schemes

  JMorado

  committed
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