Commits

Commits on May 24, 2023

Enable dd-solvated TDSCF (#2967 )
mfherbst
committedMay 24, 2023

Commits on May 15, 2023

Fix bug in lpb fock routine and update tests (#2963 )
mfherbst
committedMay 15, 2023

Commits on May 9, 2023

Fix tests to reflect pyddx 0.4 (#2952 )
mfherbst
committedMay 9, 2023

Commits on Apr 12, 2023

Extend ddx interface by support for dd-LPB (#2918 )

mfherbst
and
loriab
committedApr 12, 2023

Commits on Dec 5, 2022

Implement interface with pyddx (#2767 )
mfherbst
committedDec 5, 2022

Commits on May 31, 2020

Update to adcc 0.15.0
mfherbst
committedMay 31, 2020

Commits on May 26, 2020

Explicitly show velocity gauge is used
mfherbst
committedMay 26, 2020
Review
mfherbst
committedMay 26, 2020
Use more fstrings
mfherbst
committedMay 26, 2020
Oscillator strength tests
mfherbst
committedMay 26, 2020
Remark about extra properties
mfherbst
committedMay 26, 2020
Implement velocity gauge oscillator strength
mfherbst
committedMay 26, 2020
Add rotational strength tests
mfherbst
committedMay 26, 2020
adcc version and reference updates
mfherbst
committedMay 26, 2020
Add rotational strength as supported property
mfherbst
committedMay 26, 2020

Commits on Mar 4, 2020

Update fallback adcc version to 0.14.1
mfherbst
committedMar 4, 2020

Commits on Mar 3, 2020

Install adcc from main label
mfherbst
committedMar 3, 2020

Commits on Jan 8, 2020

Fix missing comma

mfherbst
and
andysim
committedJan 8, 2020
Fix oops
mfherbst
committedJan 8, 2020
Clearify variable names
mfherbst
committedJan 8, 2020
Prefix variable names by ADC method name
mfherbst
committedJan 8, 2020
Add doi to adcc citation
mfherbst
committedJan 8, 2020
Review comments
mfherbst
committedJan 8, 2020
Adcc paper is now accepted
mfherbst
committedJan 8, 2020
Unrestricted quicktest
mfherbst
committedJan 8, 2020
Add ADC(2) table
mfherbst
committedJan 8, 2020
Address review
mfherbst
committedJan 8, 2020
Rename tests
mfherbst
committedJan 8, 2020
Address review
mfherbst
committedJan 8, 2020
ADC documentation
mfherbst
committedJan 8, 2020
adcc on all linux tests
mfherbst
committedJan 8, 2020
New thread interface
mfherbst
committedJan 8, 2020
Test adcc on azure python 3.6
mfherbst
committedJan 8, 2020
Fix link
mfherbst
committedJan 8, 2020
A few small suggested fixes
mfherbst
committedJan 8, 2020