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Enable states parallelization for real-time propagations run through …
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…the interface
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xavierandrade committed Nov 18, 2024
1 parent 9e20c27 commit 4b69df9
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions src/interface/run.hpp
Original file line number Diff line number Diff line change
Expand Up @@ -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.");

Expand Down Expand Up @@ -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");
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