1. Introduction

Winmostar (TM) provides a graphical user interface that can efficiently manipulate quantum chemical calculations, first principles calculations, and molecular dynamics calculations. From the creation of the initial structure, from the calculation execution to the result analysis, you can carry out the one operation required for the simulation on Winmostar (TM).

1.1. About quotation

When announcing data created using Winmostar (TM) in academic presentations, articles, etc., please describe the Winmostar (TM) main body as follows, for example.

Winmostar V11, X-Ability Co. Ltd., Tokyo, Japan, 2024.

Please refer to the instructions of each software for the citation of solvers and various auxiliary programs called by Winmostar (TM).

1.2. Conventions in this manual

This manual follows the following conventions:

Ctrl+A

Indicates keyboard key or key combination operation.

OK

Labels, buttons, etc. Indicates a character string displayed on the GUI.

Tools ‣ Preferences ‣ Basic ‣ License Code

It shows the flow that follows menu, tab, etc. Above example means GUI flow from the menu Tools ‣ Preferences and click on the tab called basic in the opened window and find the label license code.

wmset.ini, C\:winmos11\UserPref

Indicates file name or directory name.

ls /usr/local/bin

Command prompt, command to be executed at terminal.

3.14159

Indicates input to the text box of the GUI.

Note

Indicates supplementary matter.

Warning

Indicates notes.

1.3. The libraries used

Winmostar uses the following libraries and softwares for some processings.

OpenCubeGen
OpenCubegen
  Cube Generation for Gaussian, Gamess, and MOPAC packages
Author
  Mitsuo Shoji
  mitsuo.shoji@apchem.nagoya-u.ac.jp
  Home page: http://www.geocities.jp/dr_mitsuos/index.html
Copyright (c)
  All rights reserved. 2009- by Mitsuo Shoji
FermiSurfer
Copyright (c) 2014 Mitsuaki Kawamura
Permission is hereby granted, free of charge, to any person obtaining a
copy of this software and associated documentation files (the
“Software”), to deal in the Software without restriction, including
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distribute, sublicense, and/or sell copies of the Software, and to
permit persons to whom the Software is furnished to do so, subject to
the following conditions:
The above copyright notice and this permission notice shall be included
in all copies or substantial portions of the Software.
THE SOFTWARE IS PROVIDED “AS IS”, WITHOUT WARRANTY OF ANY KIND, EXPRESS
OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF
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IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY
CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT,
TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE
SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.
Abbrevia 5.0
https://www.mozilla.org/en-US/MPL/1.1/
TeeChart Standard
===============================================
 TeeChart Standard v2018
 Copyright (c) 1995-2018 by Steema Software.
 All Rights Reserved.
===============================================
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===========================================
License Terms:
===============
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TeeChart Standard is royalty free under the following use conditions
==================================
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----------------------------------------------------------------------
Packmol 18.168
MIT License
Copyright (c) 2009-2018 Leandro Martínez, José Mario Martínez, Ernesto Birgin
Permission is hereby granted, free of charge, to any person obtaining a copy
of this software and associated documentation files (the "Software"), to deal
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SOFTWARE.
libssh2 1.10.0
The BSD 3-Clause License
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Copyright (c) 2006-2007 The Written Word, Inc.
Copyright (c) 2007 Eli Fant <elifantu@mail.ru>
Copyright (c) 2009-2019 Daniel Stenberg
Copyright (C) 2008, 2009 Simon Josefsson
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Redistribution and use in source and binary forms,
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BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR
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NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE
USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY
OF SUCH DAMAGE.
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OpenSSL License and Original SSLeay License
OpenSSL License
---------------
====================================================================
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====================================================================
This product includes cryptographic software written by Eric Young
(eay@cryptsoft.com).  This product includes software written by Tim
Hudson (tjh@cryptsoft.com).
Original SSLeay License
-----------------------
Copyright (C) 1995-1998 Eric Young (eay@cryptsoft.com)
All rights reserved.
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by Eric Young (eay@cryptsoft.com).
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Copyright remains Eric Young's, and as such any Copyright notices in
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   The word 'cryptographic' can be left out if the rouines from the library
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THIS SOFTWARE IS PROVIDED BY ERIC YOUNG ``AS IS'' AND
ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
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Delphi/Pascal Wrapper around the library “libssh2”
The BSD 4-clause License and Mozilla Public License 1.1
Copyright (c) 2004-2009, Sara Golemon <sarag@libssh2.org>
Copyright (c) 2009 by Daniel Stenberg
Copyright (c) 2010 Simon Josefsson <simon@josefsson.org>}
All rights reserved.
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Neither the name of the copyright holder nor the names
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CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
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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.
Copyright (c) 2010, Zeljko Marjanovic <savethem4ever@gmail.com>
This code is licensed under MPL 1.1
For details, see http://www.mozilla.org/MPL/MPL-1.1.html
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   REMEDIES FOR THE SOFTWARE. THE PROGRAM IS PROVIDED "AS IS" AND MAY CONTAIN
   ERRORS ("BUGS"), BE BASED ON ERRONEOUS ASSUMPTIONS, OR HAVE OTHER DEFECTS,
   KNOWN AND UNKNOWN. CONSEQUENTLY, THERE IS NO WARRANTY WHATSOEVER FOR THE
   PROGRAM, WHETHER EXPRESSED OR IMPLIED, INCLUDING THE SUITABILITY OF THE
   PROGRAM FOR ANY PARTICULAR PURPOSE OR INFRINGEMENT; THUS YOU ACCEPT ALL
   RESPONSIBILITY WITH REGARD TO THE PERFORMANCE OF THE PROGRAM, THE RESULTS
   OBTAINED, AND THE USE AND INTERPRETATION OF SUCH RESULTS, AND ANY FUTURE
   CONSEQUENCES ARISING FROM YOUR USE OF THE PROGRAM OR RESULTS DERIVED
   THEREOF.
10. LIMITATION OF LIABILITY
   YOU AGREE NOT TO HOLD LIABLE FOR DAMAGES, IN ANY WAY, SHAPE OR FORM,
   ANY COPYRIGHT HOLDER OR OTHER PARTY HAVING THE RIGHT TO REDISTRIBUTE OR
   MODIFY THE PROGRAM. SUCH DAMAGES INCLUDE BUT ARE NOT LIMITED TO GENERAL,
   SPECIAL, INCIDENTAL OR CONSEQUENTIAL DAMAGES ARISING OUT OF THE USE OR
   INABILITY TO USE THE PROGRAM,
   LOSS OF DATA, INACCURATE MODIFICATION OF DATA, OR ANY OTHER LOSSES
   INCURRED BY YOU OR BY A THIRD PARTY AS A RESULT OF THE USE OF THE PROGRAM
   OR INABILITY TO USE THE PROGRAM, OR INABILITY OF THE PROGRAM TO WORK
   TOGETHER WITH OTHER PROGRAMS. YOU AGREE THAT THE COPYRIGHT HOLDERS AND
   OTHER RESPONSIBLE PARTIES MAY HAVE KNOWLEDGE OF SUCH DEFECTS, INACCURACIES,
   LACK OF OPERATIONAL COMPATIBILITY WITH OTHER PROGRAMS, OR THE POSSIBILITY
   OF SUCH DAMAGES, AMONG OTHER DEFECTS, AND THAT YOU WILL NOT HOLD THESE
   PARTIES LIABLE FOR ANY DAMAGES RESULTING TO YOU OR TO A THIRD PARTY
   ARISING FROM YOUR USE OF THE PROGRAM.
BALLOON Copyright © 2006-2018 Mikko Vainio.
BALLOON Copyright © 2008-2014 J. Santeri Puranen.
BALLOON Copyright © 2010 Visipoint Ltd.
All rights reserved.
JSME
Copyright (c) 2017, Novartis Institutes for BioMedical Research Inc and Bruno Bienfait
All rights reserved.
Redistribution and use in source and binary forms, with or without
modification, are permitted provided that the following conditions are met:
    * Redistributions of source code must retain the above copyright
      notice, this list of conditions and the following disclaimer.
    * 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.
    * Neither the name of the Novartis Institutes for BioMedical Research nor the
      names of the authors may be used to endorse or promote products
      derived from this software without specific prior written permission.
THIS SOFTWARE IS PROVIDED "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 COPYRIGHT HOLDERS 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.
JSME uses code from the following libraries:
    - Apache Harmony -  Apache License v2.0  http://www.apache.org/licenses/
    - gwt-mosaic     -  Apache License v2.0  http://www.apache.org/licenses/
    - gwt-exporter   -  Apache License v2.0  http://www.apache.org/licenses/
    - gwt            -  Apache License v2.0  http://www.apache.org/licenses/
    - OpenChemLib    -  https://github.com/Actelion/openchemlib/blob/master/LICENSE
    - InChI 1.05     -  http://www.inchi-trust.org/
    - emscripten     -  https://kripken.github.io/emscripten-site/index.html
Spglib
BSD 3-Clause "New" or "Revised" License
Copyright (c) 2014, Atsushi Togo
All rights reserved.
Redistribution and use in source and binary forms, with or without
modification, are permitted provided that the following conditions
are met:
* Redistributions of source code must retain the above copyright
  notice, this list of conditions and the following disclaimer.
* 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.
* Neither the name of the <organization> 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 <COPYRIGHT
HOLDER> 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.
GEMMI
https://www.mozilla.org/en-US/MPL/2.0/