mirror of
https://github.com/triqs/dft_tools
synced 2024-12-22 04:13:47 +01:00
b90e1e80e2
* recompute maps every time SK called rather than saving them * user saves and feeds in chemical potential and dc manually * set_dc sets dc to known values (eg from previous calculations) while calc_dc computes them * find_mu -> calc_mu to match API for other functions
26 lines
625 B
Python
26 lines
625 B
Python
import h5py
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import sys
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import subprocess
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if len(sys.argv) < 2:
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print "Usage: python clear_h5_output.py archive"
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sys.exit()
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print """
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This script is to remove any SumkDFT generated output from the h5 archive
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and to restore it to the original post-converter state.
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"""
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filename = sys.argv[1]
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A = h5py.File(filename)
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for group in ['dft_output','user_data']:
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if group in A: del(A[group])
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A.close()
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# Repack to reclaim disk space
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retcode = subprocess.call(["h5repack","-i%s"%filename, "-otemphgfrt.h5"])
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if retcode != 0:
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print "h5repack failed!"
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else:
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subprocess.call(["mv","-f","temphgfrt.h5","%s"%filename])
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