/ECCE

Extensible Computational Chemistry Environment

Primary LanguageC

ECCE

Extensible Computational Chemistry Environment

This mirrors a snapshot of the ECCE 7.0 source code as distributed by the Environmental Molecular Sciences Laboratory of the Pacific Northwest National Laboratory: http://ecce.emsl.pnl.gov/

ECCE is a graphical user interface for preparing and managing computational chemistry jobs in NWChem, Gaussian, and GAMESS-UK. It runs under Linux and some Unix platforms.

Although the software is now open source under the Educational Community License Version 2.0 the code has heretofore been poorly visible due to its distribution as a single opaque compressed archive.

See the following for instructions on how to build ECCE under Debian or derived Linux distributions: