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Commits on Oct 17, 2026
- Frozen natural orbitals for molecular and periodic post-HF calculations (#3462)
  
  chenningyuan
  and
  ssh2
  authored
  38c9ff7
Commits on Dec 1, 2025
- New Features and Improvements in the Molecular ADC Module (#3042)
  
  authored
  2a157a1
Commits on Aug 5, 2024
- Updates and bug fixes in the molecular ADC module (#2353)
  
  authored
  71d265c
Commits on Jun 18, 2024
- Add ruff check (#2262)
  sunqm
  authored
  66bd99f
Commits on Nov 11, 2023
- To gpu (#1901)
  sunqm
  authored
  fbd9220
Commits on Sep 2, 2022
- Periodic k-point EA/IP-ADC, CVS-IP-ADC, and updates to the molecular EA/IP-ADC (#1349)
  
  authored
  c952ae4
Commits on Dec 18, 2020
- Some more intermediates in IP-RADC
  Samragni-93
  committed
  704e784
- Added intermediates for the RADC-IP
  Samragni-93
  committed
  f4f0a07
Commits on Nov 5, 2020
- Intermediate changes to code
  Samragni-93
  committed
  be9c251
Commits on Aug 21, 2020
- Added tests
  Samragni-93
  committed
  2a24e32
Commits on Aug 20, 2020
- Final structural changes
  Samragni-93
  committed
  4922e52
Commits on Aug 7, 2020
- Small changes
  Samragni-93
  committed
  871f69a
Commits on Aug 3, 2020
- First implementation of df-adc
  Samragni-93
  committed
  3505e71
Commits on May 23, 2020
- Merge branch 'master' of https://github.com/pyscf/pyscf into dev
  sunqm
  committed
  2771519
Commits on Apr 7, 2020
- Small change in init file
  Samragni-93
  committed
  90cc4f4
- Replaced numpy einsums with lib einsums
  Samragni-93
  committed
  a9ef372
Commits on Apr 5, 2020
- Merge pull request #5 from pyscf/dev
  ssh2
  authored
  dc6caf9
Commits on Mar 23, 2020
- Static analysis and style check
  sunqm
  committed
  9151635
Commits on Mar 11, 2020
- Changes to the eigensolver and small changes in the test files
  Samragni-93
  committed
  173cf64
Commits on Mar 1, 2020
- Update attribute .frozen in various modules according to PR #508
  sunqm
  committed
  3f55a28
Commits on Jan 31, 2020
- Changes in the amplitudes and init file upto ADC(2)
  Samragni-93
  committed
  0cfe274
Commits on Jan 28, 2020
- Set up class structure for the restricted code
  Samragni-93
  committed
  aec156e
Commits on Dec 11, 2019
- Updated documentation
  Samragni-93
  committed
  ae97a30
Commits on Dec 9, 2019
- Documentation added
  Samragni-93
  committed
  8b1915e
Commits on Nov 7, 2019
- Allows to use the code for RHF and ROHF referencess
  ssh2
  committed
  a1a4a83
Commits on Oct 24, 2019
- Setting up ADCEA class
  ssh2
  committed
  01d2d5e
Commits on Oct 22, 2019
- Adding functions for in-core integral transformation
  ssh2
  committed
  6bdf19a
- Added initial files for ADC classes
  ssh2
  committed
  c876d82
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Commits on Oct 17, 2026

Commits on Dec 1, 2025

Commits on Aug 5, 2024

Commits on Jun 18, 2024

Commits on Nov 11, 2023

Commits on Sep 2, 2022

Commits on Dec 18, 2020

Commits on Nov 5, 2020

Commits on Aug 21, 2020

Commits on Aug 20, 2020

Commits on Aug 7, 2020

Commits on Aug 3, 2020

Commits on May 23, 2020

Commits on Apr 7, 2020

Commits on Apr 5, 2020

Commits on Mar 23, 2020

Commits on Mar 11, 2020

Commits on Mar 1, 2020

Commits on Jan 31, 2020

Commits on Jan 28, 2020

Commits on Dec 11, 2019

Commits on Dec 9, 2019

Commits on Nov 7, 2019

Commits on Oct 24, 2019

Commits on Oct 22, 2019