.. _citation: Citation & License ================== Citation -------- If this code has benefited your research, please support us by citing our publication: Wang, L.-P.; Song, C.C. (2016) "Geometry optimization made simple with translation and rotation coordinates", J. Chem, Phys. 144, 214108. `(doi) `_. Credits ------- Authors: Lee-Ping Wang, Chenchen Song Contributors: Heejune Park (Nudged elastic band); Yudong Qiu (Psi4 engine, error handling); Daniel G. A. Smith (Testing framework, QCEngine JSON API); Tamas K. Stenczel (GitHub Actions, ASE engine); Sebastian Lee (Molpro engine); Chaya Stern (Travis, Conda); Qiming Sun (Custom engine); Alberto Gobbi (Batch energy/gradient, logging); Josh Horton (Convergence criteria, Gaussian engine); Akhil Shajan (QUICK engine) Contact Email: leeping [at] ucdavis [dot] edu Funding: UC Davis Department of Chemistry NIH/NIAID Award R01 AI130684 Open Force Field Consortium (2019-2020) License ------- :: BSD 3-clause (aka BSD 2.0) License Copyright 2016-2023 Regents of the University of California and the Authors Authors: Lee-Ping Wang, Chenchen Song Contributors: Yudong Qiu, Daniel G. A. Smith, Sebastian Lee, Chaya Stern, Qiming Sun, Alberto Gobbi, Josh Horton, Tamas K. Stenczel, Akhil Shajan Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: 1. Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. 2. Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. 3. Neither the name of the copyright holder nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.