1. はじめに
Winmostar(TM)は量子化学計算、第一原理計算、分子動力学計算を効率的に操作できるグラフィカルユーザーインターフェースを提供します。 初期構造の作成、計算の実行から結果解析に至るまで、シミュレーションに必要な一通りの操作をWinmostar(TM)上で実施することができます。
1.1. 引用について
学会発表、論文などでWinmostar(TM)を使用して作成したデータを発表する際、Winmostar(TM)本体については、例えば以下の様に記載してください。
Winmostar V11, X-Ability Co. Ltd., Tokyo, Japan, 2024.
Winmostar(TM)が呼び出したソルバや各種補助プログラムの引用については、それぞれのソフトウエアの指示に従って下さい。
1.2. 本マニュアルの表記規則
本マニュアルは以下の表記規則に従っています:
- Ctrl+A
キーボードのキーまたはキーの組み合せの操作を示します。
- OK
ラベル、ボタンなど GUI に表示される文字列を示します。
メニュー、タブなどをたどる流れを示します。上記の例は、 メニューから とたどり、 開いたウィンドウの 基本 というタブをクリックし、その中にある ライセンスコード というラベルの付いたGUIのことを意味します。
wmset.ini,C\:winmos11\UserPrefファイル名やディレクトリ名を示します。
- ls /usr/local/bin
コマンドプロンプト、ターミナルで実行するコマンドを示します。
3.14159GUI のテキストボックスへの入力を示します。
注釈
補足事項を示します。
警告
注意点を示します。
1.3. 使用しているライブラリ
Winmostarは一部の処理に下記のライブラリ・ソフトウェアを使用しています。
- 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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IN NO EVENT SHALL THE OpenSSL PROJECT OR ITS 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. ==================================================================== 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. This package is an SSL implementation written by Eric Young (eay@cryptsoft.com). The implementation was written so as to conform with Netscapes SSL. This library is free for commercial and non-commercial use as long as the following conditions are aheared to. The following conditions apply to all code found in this distribution, be it the RC4, RSA, lhash, DES, etc., code; not just the SSL code. The SSL documentation included with this distribution is covered by the same copyright terms except that the holder is Tim Hudson (tjh@cryptsoft.com). Copyright remains Eric Young's, and as such any Copyright notices in the code are not to be removed. If this package is used in a product, Eric Young should be given attribution as the author of the parts of the library used. This can be in the form of a textual message at program startup or in documentation (online or textual) provided with the package. 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 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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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
- GEMMI