From c657a9ffe39bba328b5ff92a47b61ff1525d8553 Mon Sep 17 00:00:00 2001 From: Noam Bernstein Date: Wed, 6 Mar 2024 15:42:51 -0500 Subject: [PATCH] Update README.md for v0.2.3 changes --- README.md | 7 +++++++ 1 file changed, 7 insertions(+) diff --git a/README.md b/README.md index 74f89219..d13d5ba0 100644 --- a/README.md +++ b/README.md @@ -16,6 +16,13 @@ that require this support include variable cell minimization using `FrechetCellF # Recent changes +v0.2.3: + +- Add wfl.generate.neb, with required improved support for passing ConfigSet.groups() to + autoaparallelized functions + +- Improved handling of old and new style ase.calculators.espresso.Espresso initialization + v0.2.2: - Improve checking of DFT calculator convergence