From f3751ecddead3024ece2f0228134e00557692787 Mon Sep 17 00:00:00 2001 From: Sarath Menon Date: Mon, 17 Jul 2023 15:09:07 +0200 Subject: [PATCH] update cores --- calphy/helpers.py | 2 +- calphy/lattice.py | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/calphy/helpers.py b/calphy/helpers.py index 344ad72..ca23f15 100644 --- a/calphy/helpers.py +++ b/calphy/helpers.py @@ -54,7 +54,7 @@ def create_object(cores, directory, timestep, cmdargs=None, lmp : LammpsLibrary object """ lmp = LammpsLibrary( - mode="local", cores=cores, working_directory=directory, cmdargs=cmdargs + cores=cores, working_directory=directory, cmdargs=cmdargs ) commands = [["units", "metal"], diff --git a/calphy/lattice.py b/calphy/lattice.py index b8e9689..02285ec 100644 --- a/calphy/lattice.py +++ b/calphy/lattice.py @@ -100,7 +100,7 @@ def check_dump_file(infile): def check_data_file(infile): try: - lmp = LammpsLibrary(mode="local", cores=1, + lmp = LammpsLibrary(cores=1, working_directory=os.getcwd()) lmp.units("metal") lmp.boundary("p p p")