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lines changed Original file line number Diff line number Diff line change 44
55import os
66import subprocess
7+ from logging import getLogger
78from pathlib import Path
89from typing import TYPE_CHECKING
910
3233
3334 from quacc .types import DefaultSetting
3435
36+ LOGGER = getLogger (__name__ )
37+
3538
3639class Vasp (Vasp_ ):
3740 """This is a wrapper around the ASE Vasp calculator that adjusts INCAR parameters
@@ -179,6 +182,9 @@ def _manage_environment(self) -> str:
179182 # Set the VASP pseudopotential directory
180183 if self ._settings .VASP_PP_PATH :
181184 os .environ ["VASP_PP_PATH" ] = str (self ._settings .VASP_PP_PATH )
185+ LOGGER .info (
186+ f"Using pp_version='{ self .user_calc_params .get ('pp_version' , '' )} ' pseudopotentials in VASP_PP_PATH={ self ._settings .VASP_PP_PATH .resolve ()} "
187+ )
182188
183189 # Set the ASE_VASP_VDW environment variable
184190 if self ._settings .VASP_VDW :
@@ -196,8 +202,10 @@ def _manage_environment(self) -> str:
196202 vasp_cmd = (
197203 self ._settings .VASP_GAMMA_CMD if use_gamma else self ._settings .VASP_CMD
198204 )
205+ full_vasp_cmd = f"{ self ._settings .VASP_PARALLEL_CMD } { vasp_cmd } "
206+ LOGGER .info (f"Using VASP command: { full_vasp_cmd .strip ()} " )
199207
200- return f" { self . _settings . VASP_PARALLEL_CMD } { vasp_cmd } "
208+ return full_vasp_cmd
201209
202210 def _cleanup_params (self ) -> None :
203211 """
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