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Molecular Science Computing Facility- Other Application Software at MSCF
Extensible Computational Chemistry Environment (Ecce)
Ecce supports chemists with calculation planning and management, a common interface to multiple computational codes, selection of basis sets, a browsable calculation and chemistry database, management of calculation jobs on networked computers, and visualization of results.
- Ecce - Home Page
- Introduction - Benchmarks - Citation Examples - Documentation - FAQ - Publications - Register - Release Notes - Server Configuration - Development Team - Workstation Specs - Ecce Registration and User Agreement Forms An email form for requesting to be an Ecce user -- Replies will help you get set up to run the software -- User Agreements must be filled out and returned
- Starting Ecce - How to start up the program after you are set up as an Ecce user (Ecce online help)
- Setting Up and Running a Calculation with Ecce - A summary and example of using Ecce tools to run a simple calculation with NWChem (Ecce online help)
- Ecce Online Help - The web-based user documentation used by the software