From 4b69df93b4c73c7f0725321941cd401f5cd8907b Mon Sep 17 00:00:00 2001 From: Xavier Andrade Date: Mon, 18 Nov 2024 01:40:32 -0800 Subject: [PATCH] Enable states parallelization for real-time propagations run through the interface --- src/interface/run.hpp | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/interface/run.hpp b/src/interface/run.hpp index 4a52edc2..313880df 100644 --- a/src/interface/run.hpp +++ b/src/interface/run.hpp @@ -105,7 +105,7 @@ These are the options available: bz.save(input::environment::global().comm(), ".inq/default_brillouin"); } - systems::electrons electrons(ions, options::electrons::load(".inq/default_electrons_options"), bz); + systems::electrons electrons(input::environment::global().par().states(), ions, options::electrons::load(".inq/default_electrons_options"), bz); if(not electrons.try_load(".inq/default_orbitals")) actions::error(input::environment::global().comm(), "Cannot load a ground-state electron configuration for a real-time run.\n Please run a ground-state first."); @@ -141,7 +141,7 @@ These are the options available: bz.save(input::environment::global().comm(), ".inq/default_brillouin"); } - systems::electrons electrons(ions, options::electrons::load(".inq/default_electrons_options"), bz); + systems::electrons electrons(input::environment::global().par().states(), ions, options::electrons::load(".inq/default_electrons_options"), bz); if(not electrons.try_load(dirname + "/real-time/orbitals")) { actions::error(input::environment::global().comm(), "Cannot load the restart electron orbitals.\n The checkpoint must be corrupt");