Fix the indent and ot bugs in reorder_remd_traj.py

This commit is contained in:
yihengwuKP
2021-11-15 18:21:17 -06:00
parent a4ceda9706
commit 1c1cd60baf

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@ -206,7 +206,7 @@ def get_byte_index(rep_inds, byteindfns, intrajfns):
# close the trajfile object
fobj.close()
return
return
def write_reordered_traj(temp_inds, byte_inds, outtemps, temps,
@ -459,6 +459,8 @@ if __name__ == "__main__":
# get (unordered) trajectories
temps = np.loadtxt(tempfn)
if not out_temps:
out_temps = temps
ntemps = len(temps)
intrajfns = ["%s.%d.lammpstrj" % (traj_prefix, k) for k in range(ntemps)]
# check if the trajs. (or their zipped versions are present)