diff --git a/dpgen/data/surf.py b/dpgen/data/surf.py index 543f02bc8..58840a97a 100644 --- a/dpgen/data/surf.py +++ b/dpgen/data/surf.py @@ -13,6 +13,7 @@ from dpgen import ROOT_PATH from dpgen.remote.decide_machine import convert_mdata from dpgen.dispatcher.Dispatcher import make_submission_compat +from dpgen.generator.lib.utils import symlink_user_forward_files #-----PMG--------- from pymatgen.io.vasp import Poscar from pymatgen.core import Structure, Element @@ -548,6 +549,13 @@ def run_vasp_relax(jdata, mdata): forward_files = ["POSCAR", "INCAR", "POTCAR"] backward_files = ["OUTCAR","CONTCAR"] forward_common_files = [] + work_path_list = glob.glob(os.path.join(work_dir, "surf-*")) + task_format = {"fp" : "sys-*"} + for work_path in work_path_list : + symlink_user_forward_files(mdata=mdata, task_type="fp", work_path=work_path, task_format=task_format) + user_forward_files = mdata.get("fp" + "_user_forward_files", []) + forward_files += [os.path.basename(file) for file in user_forward_files] + backward_files += mdata.get("fp" + "_user_backward_files", []) #if 'cvasp' in mdata['fp_resources']: # if mdata['fp_resources']['cvasp']: # forward_common_files=['cvasp.py']