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.
It shows the flow that follows menu, tab, etc. Above example means GUI flow from the menu and click on the tab called basic in the opened window and find the label license code.
wmset.ini,C\:winmos11\UserPrefIndicates file name or directory name.
- ls /usr/local/bin
Command prompt, command to be executed at terminal.
3.14159Indicates 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
- FermiSurfer
- Abbrevia 5.0
- TeeChart Standard
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Steema Software www.steema.com ----------------------------------------------------------------------- Packmol 18.168
- libssh2 1.10.0
- openssl 1.0.2m
OpenSSL License and Original SSLeay License OpenSSL License --------------- ==================================================================== Copyright (c) 1998-2018 The OpenSSL Project. All rights reserved. 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. All advertising materials mentioning features or use of this software must display the following acknowledgment: "This product includes software developed by the OpenSSL Project for use in the OpenSSL Toolkit. (http://www.openssl.org/)" 4. 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Redistributions of source code must retain the 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. All advertising materials mentioning features or use of this software must display the following acknowledgement: "This product includes cryptographic software written by Eric Young (eay@cryptsoft.com)" The word 'cryptographic' can be left out if the rouines from the library being used are not cryptographic related :-). 4. If you include any Windows specific code (or a derivative thereof) from the apps directory (application code) you must include an acknowledgement: "This product includes software written by Tim Hudson (tjh@cryptsoft.com)" THIS SOFTWARE IS PROVIDED BY ERIC YOUNG ``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 AUTHOR 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. The licence and distribution terms for any publically available version or derivative of this code cannot be changed. i.e. this code cannot simply be copied and put under another distribution licence [including the GNU Public Licence.]- Delphi/Pascal Wrapper around the library “libssh2”
- Balloon
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- GEMMI