From 77d0475fb7ba2910189612a30867cdb2bf29a85b Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Sun, 1 Oct 2023 11:46:16 -0400
Subject: [PATCH] update TODO file

---
 tools/lammps-gui/TODO.md       | 17 +++++++++++++++++
 tools/lammps-gui/lammpsgui.cpp |  2 +-
 2 files changed, 18 insertions(+), 1 deletion(-)

diff --git a/tools/lammps-gui/TODO.md b/tools/lammps-gui/TODO.md
index 8f752ac43a..e4ca44ba3d 100644
--- a/tools/lammps-gui/TODO.md
+++ b/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
diff --git a/tools/lammps-gui/lammpsgui.cpp b/tools/lammps-gui/lammpsgui.cpp
index c7f41555b5..08851da4ca 100644
--- a/tools/lammps-gui/lammpsgui.cpp
+++ b/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"));