nwbas2ecce to run in windows online over linux online

We have hosted the application nwbas2ecce to run in windows online over linux online in order to run this application in our online workstations with Wine or directly.

Quick description about nwbas2ecce to run in windows online over linux online:

The basis sets included with ECCE have -- as far as I can tell -- not been updated for many years. In addition, many of the newer basis sets that come with nwchem aren't included, such as the def2- series.

nwbas2ecce is a python script that aims to automate as much as possible of the conversion process of a nwchem basis set file into the files necessary for ECCE to included it in the basis set tool.

The process isn't completely automatic, but I also believe that it shouldn't be to avoid stuff-ups -- however, the amount of manual editing is kept to a minimum.

Note that these script are run in the terminal. The screenshot is of the basis set tool in ECCE, not this piece of software.

Audience: Science/Research.
User interface: Command-line.
Programming Language: Python.

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