diff --git a/libs/lib_mainloop.py b/libs/lib_mainloop.py index d391bb0..cf28196 100644 --- a/libs/lib_mainloop.py +++ b/libs/lib_mainloop.py @@ -102,6 +102,8 @@ def MLMD_main( single_print(f'[MLMD] Calculate it from index {inputs.index}, MD_index {MD_index}, MD_step_index {MD_step_index}') # When this initialization starts from scratch, if MD_index == 0: + single_print(f'read it?') + single_print(os.path.exists('start.in')) # Even when it is very first iterative step, if os.path.exists('start.in'): single_print(f'[MLMD] Read a configuration from start.in')