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Commits on Dec 29, 2025

• Added info about Eigen in READ

  aromanro

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• Updated the info in README.md about the Visual Studio version and c++ standards. Fixed some compiling issues with compilers with std > 17.

  aromanro

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Commits on Dec 28, 2025

• Got rid of a compile warning

  aromanro

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Commits on Nov 22, 2025

• Switched to VS 2026

  aromanro

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Commits on Jul 26, 2024

• Replaced 'unsigned int' from tensors implementation with size_t

  aromanro

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Commits on Jun 7, 2024

• Moved a variable in RestrictedCCSD to be private and exposed it with a Get function instead

  aromanro

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Commits on May 31, 2024

• Added some noexcept specifiers

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Commits on Apr 30, 2024

• Replaced typedefs with using and used perfect forwarding for hashing

  aromanro

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Commits on Feb 11, 2024

• Minor improvements to Chart class

  aromanro

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Commits on Feb 10, 2024

• Dropped Orbital.cpp (empty source file) and some other minor changes

  aromanro

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Commits on Feb 8, 2024

• Some more cleanup

  aromanro

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• More code cleanup

  aromanro

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Commits on Feb 7, 2024

• More code cleanup

  aromanro

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• Default type for Vector3D

  aromanro

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Commits on Feb 3, 2024

• Code cleanup

  aromanro

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Commits on Feb 2, 2024

• Some code cleanup

  aromanro

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Commits on Jan 31, 2024

• Some code cleanup

  aromanro

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Commits on Jan 28, 2024

• Simplified some tuples usage for integrals repository, also arranged a bit class members

  aromanro

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Commits on Jul 29, 2023

• Minor

  aromanro

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• Minor changes

  aromanro

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Commits on Jul 25, 2023

• Double factorial also with a template function

  aromanro

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• Replaced factorial implementation with a template function

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Commits on Apr 12, 2023

• Enabled AVX2

  aromanro

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Commits on Apr 4, 2023

• Turned on openmp on x64 release, for Eigen

  aromanro

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Commits on Mar 21, 2023

• Added the Coefficients class that allow among others to get the Clebsch-Gordan coefficients (basically copied from the KKR project)

  aromanro

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Commits on Mar 18, 2023

• Trying to keep CodeFactor happy

  aromanro

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Commits on Mar 5, 2023

• Replaced some std::map with std::unordered_map

  aromanro

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Commits on Feb 27, 2023

• Some minor optimizations in computing the gaussian integrals

  aromanro

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Commits on Feb 24, 2023

• Minor changes

  aromanro

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Commits on Feb 22, 2023

• Minor improvements, added the method to save a basis set (not used, should be used only for tests)

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Commits on Dec 17, 2022

• Minor change to factorial

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Commits on Sep 14, 2022

• Removed redundant code

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Commits on Jul 29, 2022

• Merge pull request #20 from codacy-badger/codacy-badge

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  aromanro

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• Add Codacy badge

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Commits on May 20, 2022

• Now there are two methods to include the nuclear dipole moment: either through total energy (the nuclear energy for the external electric field is computed, but not added up to the total energy for…

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  Adrian Roman

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