Commits

History for

Commits on Apr 12, 2026

Edge case for the frozen attribute (#3145)
sunqm
authored

Commits on Feb 21, 2026

gw utils package discovery

chillenb
authored and
sunqm
committed

Commits on Feb 16, 2026

GW improvements (#3109)
chillenb
authored

Commits on Jul 4, 2025

Coerce numpy.int64 value to int where necessary (#2884)

applePrincess
and
sunqm
authored

Commits on Feb 16, 2025

Small fix to avoid crash in URPA for H atom and other systems with zero number of electrons in the beta spin channel

EgorTrushin
authored and
sunqm
committed

Commits on Nov 4, 2024

refactor dfmp2 & rpa (#2418)

hongzhouye
and
sunqm
authored

Commits on Jul 18, 2024

a few more typos fixed

fchapoton
authored and
sunqm
committed

Commits on Jul 17, 2024

typos and typos

fchapoton
authored and
sunqm
committed

Commits on Jul 11, 2024

another little wave of typos

fchapoton
authored and
sunqm
committed

Commits on Mar 14, 2024

Improve memory usage for RPA (#2115)
yangjunjie0320
authored

Commits on Oct 31, 2023

apply "ruff --fix check --select=C40 pyscf"

fchapoton
authored and
sunqm
committed

Commits on Oct 19, 2023

modernize super() (ruff UP008)

fchapoton
authored and
sunqm
committed

Commits on Oct 16, 2023

no need to inherit from object

fchapoton
authored and
sunqm
committed
New features and code refactoring (#1859)
sunqm
authored

Commits on Oct 15, 2023

fix but do not activate W391 (#1885)
fchapoton
authored

Commits on Sep 16, 2023

new collection of typos everywhere

fchapoton
authored and
sunqm
committed

Commits on Mar 28, 2023

Frequency integration grid scaling factor as input to RPA calculations (#1670)
EgorTrushin
authored

Commits on Dec 20, 2022

Use a linearly independent basis in DIIS (#1008)

susilehtola
and
sunqm
authored

Commits on Aug 5, 2022

deal with same flake8 errors

verena-neufeld
authored and
sunqm
committed

Commits on Jun 15, 2022

Add xc_deriv, numint2c collinear functionals and mcfun interface
sunqm
committed

Commits on May 16, 2022

Update test framework (#1249)
sunqm
authored

Commits on Apr 14, 2022

update rpa and urpa

zhutianyu1991
authored and
sunqm
committed
add RPA, URPA, and tests

zhutianyu1991
authored and
sunqm
committed

Commits on May 27, 2021

Make Exact FF GW root finding more robust, reduce eta
tberkel
committed