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Rename outputs
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pabloferz authored Aug 9, 2024
1 parent 2cf78f3 commit 5004494
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions examples/lammps/spectral_abf/run.py
Original file line number Diff line number Diff line change
Expand Up @@ -88,8 +88,8 @@ def main(argv):
A = fes_fn(mesh)
hist = result["histogram"]
A = A.reshape(32, 32)
numpy.savetxt("FES-3ns.dat", numpy.hstack([mesh, A.reshape(-1, 1)]))
numpy.savetxt("hist-3ns.dat", numpy.hstack([mesh, hist.reshape(-1, 1)]))
numpy.savetxt("FES.dat", numpy.hstack([mesh, A.reshape(-1, 1)]))
numpy.savetxt("hist.dat", numpy.hstack([mesh, hist.reshape(-1, 1)]))
bins = 50
histo, xedges, yedges = numpy.histogram2d(
callback.data[:, 0],
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