Which is also why the documentation is for Avo 1.x, not 2.x and there are differences - the 2.x interface is still in flux and I have a long list of changes planned. I’ve been working hard on improving the interface - it’s still rough. It’s disappointing.Īvo2 development is occurring in my not-so-abundant free time and as it indicates, it’s beta. Gosh, Avogadro2 has become so non-intuitive. Have you tested Avogadro2 on Debian based systems? Let me end this reponse by asking you another question? I am using Debian Linux, the latest and greatest version. Why is that? Why can’t Avogadro2 just read the Gaussian file like Chemcraft, like JSMOL? I haven’t been able to perform reading an output molecule from a Gaussian calculation from the File command (It’s a Gaussian log file.) that Avogadro2 doesn’t ask me how to convert is using babel or suggests GAMESS or NWChem. The interface shown on the documentation is somewhat different than what I see in my version. The File -> Open and the Molecule readers seem to be inconsistently different. Is this not a good directory.Īgain, Extensions => Plugin Downloader shows no signs of being read in.Īlso, this is an aside. I thought it was stated “where Avodagro2 can find them”. Why doesn’t a message appear that the input generators are read? The messages say that Avogadro2 is looking for them, but has not said it found them. OBProcess::executeObabel: Running “obabel” “-V” OBProcess::executeObabel: Running “obabel” “-L forcefields” OBProcess::executeObabel: Running “obabel” “-L formats write” OBProcess::executeObabel: Running “obabel” “-L formats read” This is what I see when I start avogadro2 and the GUI starts to appear:Ĭhecking for “commands” scripts in “/home/rossi/.local/share/OpenChemistry/Avogadro/commands”Ĭhecking for “commands” scripts in “/usr/share/xfce4/OpenChemistry/Avogadro/commands”Ĭhecking for “commands” scripts in “/usr/local/share/OpenChemistry/Avogadro/commands”Ĭhecking for “commands” scripts in “/usr/share/OpenChemistry/Avogadro/commands”Ĭhecking for “commands” scripts in “/usr/bin/…/lib/x86_64-linux-gnu/avogadro2/scripts/commands” Thank you for responding to my question, but I am really not sure if you answered it. If you have a different program that you’d like to support, you can copy a script. They’re just Python scripts - add some items to the list, change the default (e.g., 3 = def2-SVP)… if you like, you can submit a pull request or patch to update the scripts. UserOptions = 'Hamiltonian or DFT method to use' If you want to know if they’ve loaded correctly, go in and change something, like the basis sets: userOptions = IIRC the GitHub repository also as “solvation” as an option in orca.py I don’t remember offhand if there’s something new, but I think PySCF was added recently. The versions you downloaded are likely slightly newer than in the last released version. The point of downloading is that you can update those scripts without needing a new release of Avogadro. We decided not to restrict extensions because someone might want to write in Shell or Ruby or Julia or whatever. On launch, it will go through the files and track which ones it can run. The bottom line is that I think the input generator files are in the right directory, but avogadro2 doesn’t seem to recognize them.īut there are no directions to install them or what to look for.Īnything that’s not a script will get ignored. There are no instructions to know if the input generators have been read properly or read at all.Īvogadro2 -> Extensions -> Plugin Downloader provides text.īut, I don’t see anything about the input generators.ĭon’t you think some more information could be provided to make the install process a little smoother. There are no instructions on what to do with plugin.json. There are no instructions on what to do with generators.cmake. README.md gamessuk.py* generators.cmake molpro.py* nwchem.py* plugin.json pyscf.py* terachem.py* LICENSE dalton.py* gaussian.py* inputgeneratortest.py* mopac.py* orca.py* psi4.py* qchem.py* The only instructions provided are that they should be placed in a directory where avogadro2 can read them. home/rossi/.local/share/OpenChemistry/Avogadro/generators I downloaded the avogadro2 input generators. This is my second time asking a question about this.
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