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Dear users
I edited the original steinberger.prm model to get a 2D spherical shell, and it works nice. Now i'd like to add an hyperdense layer around the CMB to simulate a possible origin of the Supe…
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Right now DWSIM 6.6 supports three modes (type of specs) for PFR simulation:
1. Isothermic
2. Adiabatic (e.g. Adiabatic-Nonisothermal)
3. Outlet temperature (nonisthermal but rarely reflect a …
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Optimisation always fails even for a simple methane molecule which has been pre-optimized. No idea whats wronng
Warning: Unable to load toolkit 'OpenEye Toolkit'. The Open Force Field Toolkit does …
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Gen Tatara
> Electron spin transport in a disordered metal is theoretically studied from the hydrodynamic viewpoint focusing on the role of electron vorticity. The spin-resolved momentum flux densi…
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Hi there,
I am running a low resolution 2D visco plastic spherical shell model and on getting this error "All parameter values must be greater than 0 for harmonic averaging!" I found negative tempe…
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My colleague ran into the following issue:
For a run with 1500 procs (55000 DOFs/proc), a restart from a checkpointed file leads to failure when temperature is checked in the material model (it is ze…
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Hi,
I am running some big global 3D shell models (which ran fine in 2D) which are running fine until a certain time step (966) and then the code resumes from Timestep 900 snapshot. This then happen…
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I think there is a file path issue in test_models.py. I was getting this error:
_FileNotFoundError: [Errno 2] No such file or directory: 'models/Nakazato_2013/nakazato-shen-z0.004-t_rev100ms-s13.0…
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I have been testing SHARC + Gaussian 16 on the methylenesilane (H2C=SiH2) that is the example SHARC provides. After the “nsteps” is changed from 3 to 2000, the TDDFT fails on timestep #481 with 0.5 fs…
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Currently it is frustrating to use Python `multiprocessing` because Cantera objects cannot be pickled directly. Making `ChemicalMechanismSpec` objects pickleable will dramatically simplify the use of …