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Create a recipe for calculating conceptual DFT functions #50

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BvB93 opened this issue May 27, 2020 · 1 comment · Fixed by #52
Closed

Create a recipe for calculating conceptual DFT functions #50

BvB93 opened this issue May 27, 2020 · 1 comment · Fixed by #52
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enhancement New feature or request

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BvB93 commented May 27, 2020

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@BvB93 BvB93 added the enhancement New feature or request label May 27, 2020
@BvB93 BvB93 self-assigned this May 27, 2020
@BvB93 BvB93 changed the title Create a recipe for calculting Fukui functions Create a recipe for calculating conceptual DFT functions May 27, 2020
@BvB93 BvB93 mentioned this issue May 27, 2020
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Nano-CAT 0.5.3 (#52)
259009d 
Implementation of #50:
- Added a recipe for conceptual DFT (CDFT) calculations.
- Add functions for extracting CDFT properties.
@BvB93 BvB93 linked a pull request May 29, 2020 that will close this issue
Nano-CAT 0.5.3 #52
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BvB93 commented May 29, 2020

Implemented in #52.

@BvB93 BvB93 closed this as completed May 29, 2020
@BvB93 BvB93 mentioned this issue May 29, 2020
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Nano-CAT 0.5.3 nlesc-nano/nano-CAT
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