add source code

CHANGE.log

@@ -0,0 +1,21 @@
+3DStructGen 1.0.8, 2019-11-26
+-add help document and some examples
+
+3DStructGen 1.0.7, 2019-11-13
+- fix the bug of reading  ICSD files containing '\r' character.
+
+3DStructGen 1.0.6, 2019-10-18
+- add spglib API for identifying space-group type and searching irreducible k-points
+
+3DStructGen 1.0.5, 2019-09-30
+- add ChemTik API for geometry optimization by using UFF force filed method.
+
+3DStructGen 1.0.1, 2019-09-17
+----------------------
+- fix some bugs for the buttons of OABC, clear canvas and background color;
+- fix a bug for Gaussian interface for missing atom coordinates in Gaussian.gif
+
+***********************************
+3DStructGen 1.0.0, 2019-09-17
+----------------------
+- Initial beta release

LICENSE

@@ -1,21 +1,21 @@
-MIT License
-
-Copyright (c) 2020 Pin Chen
-
-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 without limitation the rights
-to use, copy, modify, merge, publish, 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 MERCHANTABILITY,
-FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. 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.
+MIT License
+
+Copyright (c) 2019 3DStructGen project
+
+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 without limitation the rights
+to use, copy, modify, merge, publish, 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 MERCHANTABILITY,
+FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. 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.

README.md

@@ -1 +1,6 @@
-# 3DStructGen
+#3DStructGen
+An Interactively Web-based 3D Structure Generation.
+
+This program is a user-friendly and versatile program to view, build and edit organic molecules and crystal structures by using web standard techniques with HTML5, CSS and JavaScript. The atom, bond, angle and dihedral in a molecule can be viewed or modified by a mouse or other device. A wide range of cheminformatics algorithms for crystal structure are provided, such as cleaving surfaces, establishing vacuum layers, creating supercells, and the different displayed options for a unit cell. The initial input files for VASP and Gaussian can be obtained by interacting with dialog boxes in 3DStructGen.
+
+The program is free and opensource to users, and has been released under GNU GPL version 3 license.