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won't change the bahavior of get force
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Han Wang committed Sep 19, 2024
1 parent 0867991 commit aa3b024
Showing 1 changed file with 0 additions and 2 deletions.
2 changes: 0 additions & 2 deletions dpdata/qe/scf.py
Original file line number Diff line number Diff line change
Expand Up @@ -128,8 +128,6 @@ def get_energy(lines):

def get_force(lines, natoms):
blk = get_block(lines, "Forces acting on atoms", skip=1)
if len(blk) == 0:
raise RuntimeError("no force found in the output file.")
ret = []
blk = blk[0 : sum(natoms)]
for ii in blk:
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