Commits

History for

Commits on Dec 5, 2023

Adds r2SCAN hybrids; r2SCAN-3c and B97-3c (#2842 )

hokru
and
loriab
committedDec 5, 2023

Commits on Nov 27, 2023

build helper, take 2 (#3021 )
loriab
committedNov 27, 2023

Commits on Nov 6, 2023

add Einsums to build system (#3050 )

loriab
and
jturney
committedNov 6, 2023

Commits on May 9, 2023

solid harmonics ordering: runtime switchable L2, build-time switchable psi (#2861 )
loriab
committedMay 9, 2023

Commits on May 2, 2023

optional fortran compiler, adjustable cmake config installation (#2946 )
loriab
committedMay 2, 2023

Commits on May 1, 2023

Fix for QCFractal next beta10 (#2929 )
loriab
committedMay 1, 2023

Commits on Mar 22, 2023

Enable getting basis sets through BSE library (#2905 )

bennybp
and
loriab
committedMar 22, 2023

Commits on Dec 6, 2022

allow and prefer simple-dftd3 and mctc-gcp (#2791 )
loriab
committedDec 6, 2022

Commits on Dec 5, 2022

Implement interface with pyddx (#2767 )
mfherbst
committedDec 5, 2022
support two qca branches (#2821 )
loriab
committedDec 5, 2022

Commits on Dec 4, 2022

dfocc: canonical uhf df/cd ccsd/(t)/(at) E/G (#2739 )

committedDec 4, 2022

Commits on Oct 21, 2022

capabilities maintenance (#2731 )
loriab
committedOct 21, 2022

Commits on Oct 20, 2022

Remove built-in ADC module (#2737 )
maxscheurer
committedOct 20, 2022

Commits on Aug 29, 2022

Test Directory Cleanup (#2655 )
philipmnel
committedAug 29, 2022

Commits on Aug 9, 2022

conventional REMP2 and OREMP2 (#2653 )

loriab
and
behnle
committedAug 9, 2022

Commits on May 16, 2022

Move to LibECPInt (#2135 )

andysim
and
loriab
committedMay 16, 2022

Commits on May 4, 2022

Fill out pytest suite (#2549 )
loriab
committedMay 4, 2022

Commits on Apr 12, 2022

findif number and nbody number and testing label. (#2544 )
loriab
committedApr 12, 2022

Commits on Apr 8, 2022

new string cbs syntax (#2532 )
loriab
committedApr 8, 2022

Commits on Mar 31, 2022

ExternalPotential in Bohr (#2515 )

loriab
and
andysim
committedMar 31, 2022

Commits on Mar 29, 2022

ecosys gha (#2454 )

loriab
and
JonathonMisiewicz
committedMar 29, 2022