diff --git a/src/ConvergenceTestWorkflow/ConvergenceTestWorkflow.jl b/src/ConvergenceTestWorkflow/ConvergenceTestWorkflow.jl index 89e8acf..6caccce 100644 --- a/src/ConvergenceTestWorkflow/ConvergenceTestWorkflow.jl +++ b/src/ConvergenceTestWorkflow/ConvergenceTestWorkflow.jl @@ -1,18 +1,6 @@ module ConvergenceTestWorkflow -using ExpressBase: SelfConsistentField -using QuantumESPRESSO.PWscf: parse_electrons_energies -using Unitful: @u_str -using UnitfulAtomic - -import Express.ConvergenceTestWorkflow: parseoutput - include("Config.jl") include("actions.jl") -function parseoutput(file) - str = read(file, String) - return parse_electrons_energies(str, :converged)[end, :ε] -end - end