Atomes documentation

Programming framework

Supported platforms
Dependencies and requirements

Main window
Workspace and project tree
Files
Analyzing models using Atomes
Visual analysis using Atomes
Visual edition and model creation using Atomes
Preparing MD calculations in Atomes

Physico-chemical analysis in Atomes

Visualisation of the results of the calculations
Data and plot edition
- 1. Data edition
- 2. Plot edition
Mouse interaction with the data plot
- 1. Right button contextual menu
- 2. Left button zoom in and out
Saving the data
Keyboard shortcuts

Visual analysis in Atomes

Window top bar menu
Mouse interaction with the OpenGL window: visualization
- 1. Object selection
- 2. Object contextual menu
Keyboard shortcuts

Visual edition in Atomes

The Edit submenu
Mouse interaction with the OpenGL window: edition
Keyboard shortcuts

Preparing molecular dynamics calculations in Atomes

Classical MD
- 1. DL-POLY v4.09
- 2. LAMMPS
Ab-initio MD
- 1. CPMD v4.3.0
- 2. CP2K v9.1
Quantum Mechanics and Molecular Mechanics MD
- 1. CPMD

Supported atomic coordinates file formats
Keyboard shortcuts and command line options
- Keyboard shortcuts
- Command line options
The Library in Atomes
Crystal building in Atomes
The physics in Atomes
The chemical properties database in Atomes
- Atomic radii
- Neutron scattering lenghts

Atomes documentation

chap-5
section-1
sub-section-5.md

The View menu

The "View" menu and the attached submenus in the Atomes program. — Figure 5.1: The "View" menu and the attached submenus in the Atomes program.

Being very intuitive the actions of the "View" menu will not be discussed in this manual.

2022-2024, Sébastien Le Roux Revision HEAD

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