Commits

Commits on Jul 16, 2024

Update export_oeprop.cc (#3195 )
JonathonMisiewicz
committedJul 16, 2024

Commits on Jun 6, 2024

Update extras.py (#3180 )
JonathonMisiewicz
committedJun 6, 2024
Support all W integrals (#3174 )
JonathonMisiewicz
committedJun 6, 2024

Commits on Jun 4, 2024

Update liboptions.cc (#3176 )
JonathonMisiewicz
committedJun 4, 2024
Fix many compiler warnings (#3175 )
JonathonMisiewicz
committedJun 4, 2024

Commits on Apr 10, 2024

Modernize relativistic potential (#3153 )
JonathonMisiewicz
committedApr 10, 2024

Commits on Jul 14, 2023

UKS LDA Hessian (#2992 )

JonathonMisiewicz
and
loriab
committedJul 14, 2023

Commits on Jun 29, 2023

Refactor assemble_Q (#2996 )
JonathonMisiewicz
committedJun 29, 2023

Commits on Jun 28, 2023

Refactor JK_deriv2 (#2994 )
JonathonMisiewicz
committedJun 28, 2023

Commits on Jun 6, 2023

Fix #2976 (#2977 )
JonathonMisiewicz
committedJun 6, 2023

Commits on May 9, 2023

Fix #1989 (#2958 )
JonathonMisiewicz
committedMay 9, 2023

Commits on May 2, 2023

Fix UKS gradient parallelization (#2945 )
JonathonMisiewicz
committedMay 2, 2023

Commits on Mar 14, 2023

Triplet LDA and GGA. (#2885 )
JonathonMisiewicz
committedMar 14, 2023

Commits on Feb 27, 2023

potential_ moved to subclasses. (#2889 )
JonathonMisiewicz
committedFeb 27, 2023

Commits on Feb 26, 2023

Add build_polarized function. (#2888 )
JonathonMisiewicz
committedFeb 26, 2023

Commits on Feb 25, 2023

Add DAXPBY to Psi and to the Vector class. (#2887 )

JonathonMisiewicz
and
loriab
committedFeb 25, 2023
Correct erroneous test values. (#2886 )
JonathonMisiewicz
committedFeb 25, 2023

Commits on Feb 23, 2023

Clarify docs. (#2881 )
JonathonMisiewicz
committedFeb 23, 2023

Commits on Feb 16, 2023

Rename 'build_disp_functor' to 'build_functional_and_disp' (#2874 )
JonathonMisiewicz
committedFeb 16, 2023
Update export_mints.cc (#2876 )
JonathonMisiewicz
committedFeb 16, 2023

Commits on Feb 11, 2023

UKS-GGA: TDDFT and Stability Analysis (#2849 )
JonathonMisiewicz
committedFeb 11, 2023

Commits on Feb 10, 2023

Commenting of functional derivatives (#2863 )
JonathonMisiewicz
committedFeb 10, 2023

Commits on Jan 27, 2023

Fixes #2853 (#2859 )
JonathonMisiewicz
committedJan 27, 2023

Commits on Jan 26, 2023

Restore DCT-06 with spin restriction. (#2860 )
JonathonMisiewicz
committedJan 26, 2023

Commits on Jan 23, 2023

Fix error in libtrans (#2857 )
JonathonMisiewicz
committedJan 23, 2023

Commits on Jan 20, 2023

Update psithonmol.rst (#2852 )

JonathonMisiewicz
and
loriab
committedJan 20, 2023

Commits on Jan 19, 2023

Remove deprecated NBOWriter (#2856 )
JonathonMisiewicz
committedJan 19, 2023

Commits on Jan 11, 2023

Fix screening in Vx (#2834 )

JonathonMisiewicz
and
susilehtola
committedJan 11, 2023

Commits on Jan 10, 2023

LDA gradient comments (#2839 )
JonathonMisiewicz
committedJan 10, 2023

Commits on Dec 13, 2022

UV::compute_Vx Bugfix (#2832 )
JonathonMisiewicz
committedDec 13, 2022

Commits on Dec 8, 2022

Close #2828 (#2829 )
JonathonMisiewicz
committedDec 8, 2022

Commits on Dec 6, 2022

Fix segfault (#2826 )
JonathonMisiewicz
committedDec 6, 2022

Commits on Dec 5, 2022

Comment compute_V; Parallelize UKS compute_V (#2824 )
JonathonMisiewicz
committedDec 5, 2022
Close #2779 (#2780 )
JonathonMisiewicz
committedDec 5, 2022
cc Lagrangian and OPDM to Matrix; UHF Bugfix (#2818 )
JonathonMisiewicz
committedDec 5, 2022