Calculate and render dipole moments #1801
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Default is to use atomic point charges and convert to Debye Signed-off-by: Geoff Hutchison <[email protected]>
…dd-dipole-moments Signed-off-by: Geoff Hutchison <[email protected]>
Signed-off-by: Geoff Hutchison <[email protected]>
Signed-off-by: Geoff Hutchison <[email protected]>
Signed-off-by: Geoff Hutchison <[email protected]>
Signed-off-by: Geoff Hutchison <[email protected]>
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This pull request has been mentioned on Avogadro Discussion. There might be relevant details there: https://discuss.avogadro.cc/t/november-2024-live-updates/6446/1 |
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This needs a setup widget and some code to pick the automatic charge model. Wouldn't hurt to be able to fully change the arrow color, but that's less important. |
…dd-dipole-moments Signed-off-by: Geoff Hutchison <[email protected]>
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Here are the build results |
Signed-off-by: Geoff Hutchison <[email protected]>
Signed-off-by: Geoff Hutchison <[email protected]>
Signed-off-by: Geoff Hutchison <[email protected]>
Signed-off-by: Geoff Hutchison <[email protected]>
Signed-off-by: Geoff Hutchison <[email protected]>
Signed-off-by: Geoff Hutchison <[email protected]>
Signed-off-by: Geoff Hutchison <[email protected]>
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Here are the build results |
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Here are the build results |
Signed-off-by: Geoff Hutchison <[email protected]>
Signed-off-by: Geoff Hutchison <[email protected]>
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Here are the build results |
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Here are the build results |
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