From 375062d02ce6e4183a21ddf1da47c77ff97af1c2 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Fri, 8 Apr 2022 21:18:28 -0400 Subject: [PATCH] restore modern API usage --- src/MDI/mdi_engine.cpp | 13 +++---------- 1 file changed, 3 insertions(+), 10 deletions(-) diff --git a/src/MDI/mdi_engine.cpp b/src/MDI/mdi_engine.cpp index e6fff575eb..87ed04037d 100644 --- a/src/MDI/mdi_engine.cpp +++ b/src/MDI/mdi_engine.cpp @@ -105,16 +105,9 @@ MDIEngine::MDIEngine(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp) id_press = utils::strdup(std::string("MDI_ENGINE") + "_press"); modify->add_compute(fmt::format("{} all pressure NULL virial", id_press)); - int icompute_ke = modify->find_compute(id_ke); - int icompute_pe = modify->find_compute(id_pe); - int icompute_press = modify->find_compute(id_press); - - ke = modify->compute[icompute_ke]; - pe = modify->compute[icompute_pe]; - press = modify->compute[icompute_press]; - - //pe = modify->get_compute_by_id("thermo_pe"); - //press = modify->get_compute_by_id("thermo_press"); + ke = modify->get_compute_by_id(id_ke); + pe = modify->get_compute_by_id(id_pe); + press = modify->get_compute_by_id(id_press); // irregular class used if >COORDS change dramatically