update TODO file

tools/lammps-gui/TODO.md

@@ -3,6 +3,23 @@ LAMMPS-GUI TODO list:
 # Short term goals (v1.x)
 
 - implement indenting regions for (nested) loops?
+- implement data file manager GUI with the following features:
+   - import coordinates and topology via VMD molfile plugins
+   - import coordinates and topology from intermol
+   - import coordinates and topology from OpenBabel
+   - store data internally in a generalized YAML format
+   - add/remove columns to per-atom data
+   - change atom style for export to data file
+   - merge one system to another
+   - edit mapping between numeric and symbolic types. create labelmaps.
+   - import/export LAMMPS data and molecule files
+   - store coordinates internally as unwrapped coordinates
+   - recenter coordinates
+   - edit box boundaries
+   - readjust box to extent of atoms (with or without estimated radius)
+   - call to LAMMPS to create geometries from lattices (with/without molecule files) and STL files
+   - call to LAMMPS to generate visualizations of geometries
+   - edit force field parameters, e.g. apply charmm
 
 # Long term ideas (v2.x)
 - rewrite entire application to build the App and its layout manually

tools/lammps-gui/lammpsgui.cpp

@@ -176,7 +176,7 @@ LammpsGui::LammpsGui(QWidget *parent, const char *filename) :
 
     update_recents();
 
-    // check if we have OVITO and VMD installed and deacivate actions if not
+    // check if we have OVITO and VMD installed and deactivate actions if not
     ui->actionView_in_OVITO->setEnabled(has_exe("ovito"));
     ui->actionView_in_OVITO->setData("ovito");
     ui->actionView_in_VMD->setEnabled(has_exe("vmd"));