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2025-09-30 Sébastien Le Roux <sebastien.leroux@ipcms.unistra.fr>
Release of version 1.2.1
* Bug corrections:
Linux package fix
Windows bug fix to read preferences file 'preferences.c'
2025-09-05 Sébastien Le Roux <sebastien.leroux@ipcms.unistra.fr>
Release of version 1.2.0
* New features:
New user preferences window and associated features:
- Set global user preferences
- Save preferences in 'atomes.pml' configuration file
Gradient backgrounds
* Improvements:
Reading of CIF files 'read_cif.c'
- better occupancy treatment
- multiconfiguration CIF files
Representation window 'm_rep.c'
* Bug corrections:
Several issues fixed for advanced OpenGL rendering 'w_advance.c'
2025-05-15 Sébastien Le Roux <sebastien.leroux@ipcms.unistra.fr>
Release of version 1.1.18
* Bug corrections:
Crystal building, bug correction if occ < 1.0 'cbuild_action.c'
OpenGL drawing of NPT boxes 'ogl_draw.c' and 'd_box.c'
Workspace space groupe info 'modelinfo.c'
Dmax evaluation 'interface.c'
2025-02-20 Sébastien Le Roux <sebastien.leroux@ipcms.unistra.fr>
Release of version 1.1.17
* Bug corrections:
OpenGL window shortcuts bug correction 'glwindow.c'
OpenGL window, GTK3 menu bar fix 'glwindow.c', 'm_atoms.c'
OpenGL window contextual menu fix 'popup.c'
Crystal building, few minor bug corrections and code cleaning 'cbuild_action.c'
Supercell: bug fix to restore coordination and polyhedra data 'cell_super.c'
* Improvement:
Distance matrix calculation 'dmtx.F90' minor adjustments and improvements
2024-12-18 Sébastien Le Roux <sebastien.leroux@ipcms.unistra.fr>
Release of version 1.1.16
* Bug corrections:
Ring statistics correction for Guttman analysis with ABAB rings
X-rays g(r): 'CHEM_X' parameters default set to Z
2024-04-10 Sébastien Le Roux <sebastien.leroux@ipcms.unistra.fr>
Release of version 1.1.15
* Bug corrections:
Several MacOS OS related bugs corrected
Various small bug corrections
* Improvements:
OpenGL testing utility implemented at startup
Shorcuts information dialog for all windows with shorcuts
GTK4 forward transition code wide
MacOS beta version
2024-03-20 Sébastien Le Roux <sebastien.leroux@ipcms.unistra.fr>
Release of version 1.1.14
* Bug corrections:
X-rays g(r): 'CHEM_X' parameter was 0.0
* Improvements:
Option to build model from CIF file using symmetry positions when available 'read_cif.c'
Object(s) can be used to fill CIF file unknown positions 'read_cif.c' and 'cbuild_action.c'
Distance matrix calculation 'dmtx.F90' minor adjustments and improvements
Improvement of the automatic evaluation of the OpenGL model depth 'bonds.F90'
Pixel debug is now available in DEBUG mode
overall code cleaning
atomes code is now entirely commented in Doxygen format
2024-02-28 Sébastien Le Roux <sebastien.leroux@ipcms.unistra.fr>
Release of version 1.1.13
* Bug corrections:
Surface passivation: 'cell_cut.c' and 'atom_action.c'
Atomic object managment: 'src/opengl/edit/atom_*.c'
Atom search window: 'w_search.c'
* Improvements:
Handling unknown chemical species when reading coordinates files
Keyboard shortcuts added for styles and selection modes for the OpenGL window
Re-compute bonding properties of edition with the model edition window
2023-09-11 Sébastien Le Roux <sebastien.leroux@ipcms.unistra.fr>
Release of version 1.1.12
* Bug corrections:
Corrections on reading I.S.A.A.C.S. files: 'callbacks.c' and 'xmlrw.c'
Workspace contextual menu correction: 'workspace.c'
Movie encoding correction for axis colors and volumes: 'movie.c'
GTK3 version:
OpenGL / GTK interaction, on fail to initialize rendering: test to change the GDK visual 'gtk_window_change_gdk_visual()'
GTK4 version:
Event controller correction: 'dlp_ff_match.c'
Tree view selection corrections: 'dlp_field.c' and 'w_measures.c'
Menus with pango markups (if no submenu attached: https://gitlab.gnome.org/GNOME/gtk/-/issues/5946)
"Color palettes" ready (if bug fixed: https://gitlab.gnome.org/GNOME/gtk/-/issues/5955)
Periodic table focus on mouse motion fixed: 'w_periodic.c'
OpenGL window main menu and contextual menus corrections
* Improvements:
Massive code cleaning
Massive addition of comments in the C sources
Code cleaning to remove older APF version compatibilities on open project
File associations added for standards atomic coordinates file formats
BASH completion adapted accordingly
Separate 'Makefile.am' for architecture independent data
2023-03-27 Sébastien Le Roux <sebastien.leroux@ipcms.unistra.fr>
Release of version 1.1.11
* Bug correction:
dmtx.F90: ADAPT_CUT
callbacks.c: removed 'if (oap < 2)'
2022-04-11 Sébastien Le Roux <sebastien.leroux@ipcms.unistra.fr>
Release of version 1.1.10
* Bug correction:
molecules.F90: m = VOISJ(l,j,i)
2022-28-10 Sébastien Le Roux <sebastien.leroux@ipcms.unistra.fr>
Release of version 1.1.9
* Bug corrections:
glwin.h: float shift[4], label_format[3]
m_poly.c: olg_clones[6] -> olg_clones[5]
read_bond.c: update_mol
edit_menu.c: cshift[i+3] -> cshift[i]
gui.c: cut_sel and cut_lab pointers for 3D window actions
dlp_atom.c: compare_non_bonded
2022-27-10 Sébastien Le Roux <sebastien.leroux@ipcms.unistra.fr>
Release of version 1.1.8
* Bug corrections:
edit_menu.c: correction for lattice parameter updates
gui.c: cut_sel and cut_lab pointers for 3D window actions
popup.c: corrections to use cut_sel and cut_lab
glwindow.c: corrections to use cut_sel and cut_lab
closep.c: corrections to close volume_win and model_win[2]
atom_action.c: corrections to properly trigger bond udpates or not
atom_remove.c: corrections to adjust bonds id
atom_remove.c: corrections if fragments are removed
ogl_text.c: correction buffer size strings for measures
callbacks.c: correction when reading workspace remember name
2022-13-10 Sébastien Le Roux <sebastien.leroux@ipcms.unistra.fr>
Release of version 1.1.7
* Bug corrections:
callback.c: save workspace
atom_action.c: on remove, trigger re-calculate bonding
2022-10-10 Sébastien Le Roux <sebastien.leroux@ipcms.unistra.fr>
Release of version 1.1.6
* Bug correction:
w_library.c: lib_preview_plot = NULL;
* Improvements:
main.c: -h
glview.c: selection delay on mouse pressed/released
2022-09-23 Sébastien Le Roux <sebastien.leroux@ipcms.unistra.fr>
Release of version 1.1.5
* Bug correction:
w_search.c: selection not to crash if atom_win is closed
2022-09-22 Sébastien Le Roux <sebastien.leroux@ipcms.unistra.fr>
Release of version 1.1.4
* Bug corrections:
read_coord.c: Windows to handle properly EOL symbols
m_curve.c: Windows to not crash when destroying label widget
glview.c: correct GWARNING messages on widget scale
2022-09-15 Sébastien Le Roux <sebastien.leroux@ipcms.unistra.fr>
Release of version 1.1.3
* Bug corrections:
read_opengl.c: correct 'read_atom_b'
initring.c: correct 'send_rings_opengl_'
2022-09-14 Sébastien Le Roux <sebastien.leroux@ipcms.unistra.fr>
Release of version 1.1.2
* Bug corrections:
atom_action.c: recompute bonding on passivate
bdcall.c: do not trigger menu init on passivate
2022-09-13 Sébastien Le Roux <sebastien.leroux@ipcms.unistra.fr>
Release of version 1.1.1
* Bug correction:
workspace.c: double click on workspace
2022-08-28 Sébastien Le Roux <sebastien.leroux@ipcms.unistra.fr>
Initial release of the Atomes program v1.1.0
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