Option to read wildcards for replay of many beads#6
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fidanyan wants to merge 4 commits intomaster-py3from
Open
Option to read wildcards for replay of many beads#6fidanyan wants to merge 4 commits intomaster-py3from
fidanyan wants to merge 4 commits intomaster-py3from
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added 4 commits
June 7, 2020 12:11
It is possible now to use asterisk in a trajectory filename. If used, i-pi finds all files in working directory that match the provided pattern, and reads their bead indices from them, assuming that these files have i-pi output format (XYZ or PDB).
…play-many-beads
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It is possible now to use globs in a trajectory filename in replay mode.
If a filename with glob is provided, i-pi finds all files in working directory that match the provided pattern (Unix globs *?[] ), reads bead indices from them, assuming that these files have i-pi output format (XYZ or PDB). Then, it assigns the coordinates from these files to the corresponding beads.
Consistency of input is checked, only 'conservative' use (beads from 0 to Nbeads-1) is allowed.