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Dear Richard,
The pycalphad is really great project, so I wanted to test it out. I do have problems with the pycalphad examples. I am running Mac Pro with Python 2.7.8 (default, Nov 12 2014, 14:36:21…
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I just rebuilt PyDQED and PyDAS binaries with the latest conda on MacOS, and now can't build RMG-Py with it, getting `ValueError: numpy.dtype has the wrong size, try recompiling`.
It looks like PyDAS…
rwest updated
8 years ago
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Hi, rather a feature request than a bug:
is there or where should i look for a module that parses a chemkin formatted thermochemistry entry and translates that into thermo.MultiNasa object? The forma…
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Try 2-methyl furan:
http://rmg.mit.edu/adjacencylist/CC1=CC=CO1
Gives Unable to determine atom type for atom O.
rwest updated
10 years ago
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One of my recent isobutanol jobs terminated with this error:
Created new species: C3HOJ(11865)
Created new forwards Intra_R_Add_Endocyclic reaction: C3HOJ(6782) --> C3HOJ(11865)
ERROR: Reaction is no…
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Background:
There are two ways of representing the ketenyl radical HCCO. The two resonance forms are:
ResonanceFormA
1 C 1 {2,D}
2 C 0 {1,D} {3,D}
3 O 0 {2,D}
and
ResonanceFormB
1 C 0 {2,T}
2 C…