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Extensible Computational Chemistry Environment (ECCE)
Environmental Molecular Sciences Laboratory (EMSL)
Pacific Northwest National Laboratory
Richland, WA 99352
ECCE is an open-source suite of integrated collaborative applications for
setting up, running, and visualizing results from computational chemistry
studies distributed under the terms of the Educational Community License
(ECL) 2.0
Copyright (c) 1994-2012 Pacific Northwest National Laboratory, Battelle
Memorial Institute.
Copyright (c) 2017-2026 C. André Ohlin.
This distribution is a maintained fork, hosted at
https://github.com/FriendsofECCE/ECCE. The software has been substantially
modified since 2012 -- ported from wxWidgets 2.8 to 3.2, from C++14 to C++17,
from a recursive-make build to CMake, and from Python 2 to Python 3, with
extensive bug fixes and support for additional computational chemistry codes.
Neither Pacific Northwest National Laboratory, Battelle Memorial Institute nor
the U.S. Department of Energy is responsible for, or endorses, these
modifications.
This software and its documentation were originally developed at the EMSL at
Pacific Northwest National Laboratory, a multiprogram national laboratory,
operated for the U.S. Department of Energy by Battelle under Contract Number
DE-AC05-76RL01830. Support for that work was provided by the Department of
Energy Office of Biological and Environmental Research, Office of Basic
Energy Sciences.
Licensed under the Educational Community License, Version 2.0 (the "License");
you may not use this file except in compliance with the License. You may obtain
a copy of the License at http://opensource.org/licenses/ecl2.php
Unless required by applicable law or agreed to in writing, software distributed
under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR
CONDITIONS OF ANY KIND, either express or implied. See the License for the
specific language governing permissions and limitations under the License.
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Third-party icons
The toolbar and dialog icons ECCE draws where the platform's icon theme has
none (Windows, macOS) are from Lucide (https://lucide.dev), ISC License,
Copyright (c) 2026 Lucide Icons and Contributors; icons derived from Feather
are MIT, Copyright (c) 2013-present Cole Bemis. The full licence text is in data/client/pixmaps/lucide/LICENSE.