This is the Windows app named nwbas2ecce to run in Windows online over Linux online whose latest release can be downloaded as nwbas2ecce.zip. It can be run online in the free hosting provider OnWorks for workstations.
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Wine is a way to run Windows software on Linux, but with no Windows required. Wine is an open-source Windows compatibility layer that can run Windows programs directly on any Linux desktop. Essentially, Wine is trying to re-implement enough of Windows from scratch so that it can run all those Windows applications without actually needing Windows.
SCREENSHOTS:
nwbas2ecce to run in Windows online over Linux online
DESCRIPTION:
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
This is an application that can also be fetched from https://sourceforge.net/projects/nwbas2ecce/. It has been hosted in OnWorks in order to be run online in an easiest way from one of our free Operative Systems.