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start.in
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Kisung Kang committed Jun 21, 2024
1 parent e391a74 commit 9ace722
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2 changes: 2 additions & 0 deletions libs/lib_mainloop.py
Original file line number Diff line number Diff line change
Expand Up @@ -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')
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