Skip to content

Standard deviation in force is not properly copied back #598

@amcadmus

Description

@amcadmus

Line 517 should be placed after 520

for (int dd = 0; dd < std_f_.size(); ++dd) std_f[dd] = std_f_[dd];
if (out_rel == 1){
deep_pot_model_devi.compute_relative_std_f (std_f_, tmp_avg_f_, eps);
}

Metadata

Metadata

Assignees

No one assigned

    Labels

    Type

    Projects

    No projects

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions