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Description
I am using the ASE interface like this:
atoms = ase.Atoms(positions=pos, numbers=numbers, charges=charges)
atoms.calc = XTB(method="GFN-FF")
ase.optimize.LBFGS(atoms, logfile=os.devnull).run(0.001, 20)Despite directing the log to devnull, the optimizer still prints about a hundred lines of output every time I do this:
==================== Thresholds ====================
CN : 150.00000
rep : 500.00000
disp: 2500.00000
HB1 : 250.00000
HB2 : 450.00000
Pauling EN used:
Z : 1 EN : 2.20
Z : 6 EN : 2.55
Z : 7 EN : 3.04
Z : 8 EN : 3.44
Z :14 EN : 1.90
electric field strengths (au): 0.000
-------------------------------------------------
| Force Field Initialization |
-------------------------------------------------
and so on. Is there some way I can silence the output? Here are the relevant package versions (installed with conda).
ase 3.22.1 pyhd8ed1ab_1 conda-forge
xtb 6.5.1 h03160e7_1 conda-forge
xtb-python 22.1 py310h1fa729e_0 conda-forge
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