Unverified Commit 0788a8ee authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

only collect the per-atom data specific to this test to compare against total pe.

parent 799b676f

unittest/force-styles/angle_style.cpp

+1 −1
Original line number Diff line number Diff line
@@ -143,7 +143,7 @@ void run_lammps(LAMMPS *lmp) 
    };



    command("fix 1 all nve");

    command("compute pe all pe/atom");

    command("compute pe all pe/atom angle");

    command("compute sum all reduce sum c_pe");

    command("thermo_style custom step temp pe press c_sum");

    command("thermo 2");

unittest/force-styles/bond_style.cpp

+1 −1
Original line number Diff line number Diff line
@@ -143,7 +143,7 @@ void run_lammps(LAMMPS *lmp) 
    };



    command("fix 1 all nve");

    command("compute pe all pe/atom");

    command("compute pe all pe/atom bond");

    command("compute sum all reduce sum c_pe");

    command("thermo_style custom step temp pe press c_sum");

    command("thermo 2");

unittest/force-styles/pair_style.cpp

+1 −1
Original line number Diff line number Diff line
@@ -143,7 +143,7 @@ void run_lammps(LAMMPS *lmp) 
    };



    command("fix 1 all nve");

    command("compute pe all pe/atom");

    command("compute pe all pe/atom pair");

    command("compute sum all reduce sum c_pe");

    command("thermo_style custom step temp pe press c_sum");

    command("thermo 2");

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