diff --git a/pyiron_atomistics/lammps/base.py b/pyiron_atomistics/lammps/base.py index 56c9150d9..c3695ce03 100644 --- a/pyiron_atomistics/lammps/base.py +++ b/pyiron_atomistics/lammps/base.py @@ -386,20 +386,7 @@ def write_input(self): structure=self.structure, cutoff_radius=self.cutoff_radius ) lmp_structure.write_file(file_name="structure.inp", cwd=self.working_directory) - version_int_lst = self._get_executable_version_number() update_input_hdf5 = False - if ( - version_int_lst is not None - and "dump_modify" in self.input.control._dataset["Parameter"] - and ( - version_int_lst[0] < 2016 - or (version_int_lst[0] == 2016 and version_int_lst[1] < 11) - ) - ): - self.input.control["dump_modify"] = self.input.control[ - "dump_modify" - ].replace(" line ", " ") - update_input_hdf5 = True if not all(self.structure.pbc): self.input.control["boundary"] = " ".join( ["p" if coord else "f" for coord in self.structure.pbc] @@ -416,25 +403,6 @@ def write_input(self): ) self.input.potential.copy_pot_files(self.working_directory) - def _get_executable_version_number(self): - """ - Get the version of the executable - - Returns: - list: List of integers defining the version number - """ - if self.executable.version: - return [ - l - for l in [ - [int(i) for i in sv.split(".") if i.isdigit()] - for sv in self.executable.version.split("/")[-1].split("_") - ] - if len(l) > 0 - ][0] - else: - return None - @property def publication(self): return { diff --git a/tests/lammps/test_base.py b/tests/lammps/test_base.py index 28387b0c9..5d558b0a0 100644 --- a/tests/lammps/test_base.py +++ b/tests/lammps/test_base.py @@ -133,30 +133,6 @@ def test_structure_charge(self): ], ) - def test_avilable_versions(self): - self.job.executable = os.path.abspath( - os.path.join( - self.execution_path, - "..", - "static", - "lammps", - "bin", - "run_lammps_2018.03.16.sh", - ) - ) - self.assertTrue([2018, 3, 16] == self.job._get_executable_version_number()) - self.job.executable = os.path.abspath( - os.path.join( - self.execution_path, - "..", - "static", - "lammps", - "bin", - "run_lammps_2018.03.16_mpi.sh", - ) - ) - self.assertTrue([2018, 3, 16] == self.job._get_executable_version_number()) - def _build_water(self, y0_shift=0.0): density = 1.0e-24 # g/A^3 n_mols = 27