OpenChemistry/avogadrolibs

Issues

• Add a "Reset to Defaults" button to the View Configuration for each display type

  #1805 opened 3 months ago by matterhorn103
  5

• Energy calculator scripts should have an option to use `msgpack`

  #1798 opened a month ago by ghutchis
  0

• Molecular orbital rendering with Flying Edges is incorrect (negative mesh)

  #1827 opened 2 months ago by ghutchis
  3

• Allow user to set size of ghost atom

  #1714 opened 5 months ago by matterhorn103
  7

• Black screen when changing window size

  #1699 opened 2 months ago by RubiaLab
  7

• MDL format should read radicals to set total spin multiplicity

  #1768 opened 2 months ago by ghutchis
  2

• Selecting atoms with Dipole Moment turned on causes crash

  #1806 opened 2 months ago by matterhorn103
  5

• Support IO for QCSchema from MolSSI

  #1836 opened 2 months ago by ghutchis
  1

• Avogadro does not open .xyz by clicking

  #1649 opened 3 months ago by imitrichev
  5

• [BUG]: Hovered 'Light/Dark' Text Sticks After Mode Switch – Requires Extra Click to Dismiss

  #1725 opened 3 months ago by sinhaaman3256
  4

• Add Shortcut Keys to navigate/modify molecules

  #1794 opened 3 months ago by Milziade
  7

• Background in split view appears transparent

  #1729 opened 3 months ago by PeteGierth
  5

• Mac needs to set BABEL_LIBDIR

  #1753 opened 3 months ago by ghutchis
  11

• Calculate & depict dipole moment vector

  #1740 opened 3 months ago by ghutchis
  0

• Weird error message "LayerModel: name didn't match: undef"

  #1769 opened 3 months ago by ghutchis
  2

• Partially transparent layers

  #1731 opened 3 months ago by ghutchis
  0

• building from source master (818c059811aba0f0b4fddab55df801b80cdbe8e4) fails due to unconditional qt5 calls and missing Qt6OpenGL links

  #1727 opened 3 months ago by balducci
  14

• Avogadro does not open an .out file from ORCA (UTF-16 encoding)

  #1689 opened 7 months ago by Molybdenum4242
  11

• No dummy atom appears when adding centre of mass

  #1664 opened 10 months ago by matterhorn103
  4

• Centroid is not created at correct position

  #1657 opened a year ago by matterhorn103
  5

• 构建时 Qt5 引用未定义的问题

  #1760 opened 3 months ago by jiuzhi1234
  4

• shortcut keys for better navigation in computer software

  #1764 opened 3 months ago by mmSamyak
  3

• BUG: Found an assignment bug in cmlformat.cpp

  #1776 opened 3 months ago by TactfulDeity
  4

• Switch AppImage to use linuxdeploy

  #1752 opened 3 months ago by ghutchis
  3

• template tool doesn't actually paste template that is selected

  #1655 opened 3 months ago by bernstei
  8

• Rotation in Manipulation Tool pane is not calculated relative to the expected centres

  #1755 opened 3 months ago by matterhorn103
  7

• Render transformation centre

  #1757 opened 4 months ago by matterhorn103
  3

• Add option to transform relative to specific atom and to true origin (or arbitrary point?)

  #1756 opened 4 months ago by matterhorn103
  4

• Add fuzz testing for file formats

  #1644 opened a year ago by ghutchis
  1

• Support for charges, etc. in extended XYZ files

  #1734 opened 4 months ago by ghutchis
  0

• Energy and Forces Calculation not Working on Mac

  #1723 opened 4 months ago by ChemEm
  5

• Set colors for hydrogen bond and other non-covalent rendering

  #1733 opened 4 months ago by ghutchis
  0

• Tune ambient occlusion / blur / fog

  #1730 opened 4 months ago by ghutchis
  0

• Add ghost atoms to elements list in the Draw Tool's pane or to Build menu

  #1715 opened 5 months ago by matterhorn103
  1

• Arabic menu items

  #1724 opened 4 months ago by hmsenn1
  5

• How to add a repeated molecule

  #1693 opened 5 months ago by Timote79
  2

• workspace(background graphics) issues

  #1690 opened 5 months ago by Subula-debug
  4

• cartesian

  #1691 opened 5 months ago by Timote79
  3

• Generated CP2K input is invalid

  #1701 opened 6 months ago by e-kwsm
  2

• cannot import from PQR: Network error socket operation timed out

  #1687 opened 7 months ago by drew-parsons
  3

• Avogadro 2 keep fixed selected atoms option doesn't work

  #1684 opened 7 months ago by martino2650
  5

• App crashes when clicking "Optimize Geometry" without any atom

  #1660 opened 8 months ago by perminder-17
  3

• request of clarification, string translation

  #1677 opened 8 months ago by nbehrnd
  2

• Orbitals Toolbar Does Not Display When Opening a Formatted Checkpoint File

  #1669 opened 10 months ago by haydenmann3
  3

• Profiling and Benchmarking for Codebase Optimization

  #1673 opened 8 months ago by perminder-17
  5

• Label the axes, especially to help with (e.g. red-green) colourblindness

  #1667 opened 10 months ago by matterhorn103
  0

• Add a reset view option

  #1666 opened 10 months ago by matterhorn103
  0

• Align Tool: atoms have to be reselected to realign to different axis

  #1665 opened 10 months ago by matterhorn103
  0

• Add Stereo-chemistry Projections (Bond-Line, Fischer, Newman) as Viewing Options

  #1663 opened 10 months ago by perminder-17
  1

• Better selection of default elements in the drop-down

  #1656 opened a year ago by matterhorn103
  2