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Spartan is a molecular modelling and computational chemistry application from Wavefunction. [2] It contains code for molecular mechanics , semi-empirical methods , ab initio models , [ 3 ] density functional models , [ 4 ] post-Hartree–Fock models, [ 5 ] thermochemical recipes including G3(MP2) [ 6 ] and T1.
Use the text button to add text to your diagram. The next 9 buttons are used to add shapes and lines to the diagram. Experiment with them: they are pretty much self explanatory. Below is a drop down list that allows you to choose from several groups of special objects that can be used in your diagram.
High performance GPU-accelerated ab initio molecular dynamics and TD/DFT software package for very large molecular or even nanoscale systems. Runs on NVIDIA GPUs and 64-bit Linux, has heavily optimized CUDA code. Proprietary, trial licenses available PetaChem LLC: TINKER: I Yes Yes Yes Yes I I Yes Yes Software tools for molecular design-Tinker ...
An artifact is one of many kinds of tangible by-products produced during the development of software. Some artifacts (e.g., use cases, class diagrams, requirements and design documents) help describe the function, architecture, and design of software. Other artifacts are concerned with the process of development itself—such as project plans ...
Includes glossary, data dictionary, and issue tracking. Supports use case diagrams, auto-generated flow diagrams, screen mock-ups, and free-form diagrams. clang-uml: Unknown Unknown Unknown Unknown No C++ PlantUML, Mermaid.js Generate PlantUML and Mermaild.js diagrams from existing C++ codebase. Dia: Partly No No No
An architectural model (in software) contains several diagrams representing static properties or dynamic (behavioral) properties of the software under design [1] [2] [3]. The diagrams represent different viewpoints of the system and the appropriate scope of analysis. The diagrams are created by using available standards in which the primary aim ...
Spreadsheet, Diagrams, Statistical Functions LiSiCA: Python: No 2015 Windows, Linux: Ligand-based virtual screening software that searches for 2D and 3D similarities between a reference compound and a database of target compounds. MagicPlot: GUI: Proprietary: No 2008: January 18, 2021 / 3.0: Any : Nonlinear fitting, batch processing Maple: GUI ...
Programmers and developers use the diagrams to formalize a roadmap for the implementation, allowing for better decision-making about task assignment or needed skill improvements. System administrators can use component diagrams to plan ahead, using the view of the logical software components and their relationships on the system. [2]