Search Results for "python script"
Sort By:
Showing 2 open source projects for "python script"
View related business solutions-
Project Planning and Management Software | PlanviewPlanview® Portfolios enables enterprises to accelerate strategic execution by seamlessly integrating business and technology planning, optimizing resources, and leveraging the power of embedded AI — Planview Anvi™ — to deliver breakthrough products, services, and customer experiences. This unified approach aligns strategy with execution, driving enhanced business performance across the organization.
-
Queue Management System for Busy Service Providers | WaitWellThe queue management system that perfectly adapts to your workflows. Improve operational efficiency in weeks with the most configurable enterprise queue system.
-
1
nwbas2ecce
nwbas2ecce converts nwchem basis set files to the ECCE format
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. ... -
2
convert2orcazmatrix
Python script that converts regular zmatrix to orca-zmatrix format.
Since I use GUI tools which only save the molecules to regular zmatrix format. I created a script that would convert the regular format to the special orca format. It is written in python and can be used like this. usage: convert2orcazmatrix.py [-h] -i INPUTFILE [-o OUTPUTFILE]
- Previous
- You're on page 1
- Next
