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bug_fix | init_bulk | stages 3 | lost the last pert-dir in stages 2 #530

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Aug 31, 2021
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2 changes: 1 addition & 1 deletion dpgen/data/gen.py
Original file line number Diff line number Diff line change
Expand Up @@ -464,7 +464,7 @@ def make_vasp_md(jdata, mdata) :

for ii in sys_ps :
for jj in scale :
for kk in range(pert_numb) :
for kk in range(pert_numb+1) :
path_work = path_md
path_work = os.path.join(path_work, ii)
path_work = os.path.join(path_work, "scale-%.3f" % jj)
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