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Support solvation models #23

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2 tasks
awvwgk opened this issue Apr 20, 2022 · 0 comments · Fixed by #13
Closed
2 tasks

Support solvation models #23

awvwgk opened this issue Apr 20, 2022 · 0 comments · Fixed by #13
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enhancement New feature or request

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@awvwgk
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awvwgk commented Apr 20, 2022

Add support for basic solvation models

  • CPCM (using ddPCM library)
  • ALPB / GBSA
@awvwgk awvwgk added the enhancement New feature or request label Apr 20, 2022
@awvwgk awvwgk linked a pull request Apr 20, 2022 that will close this issue
Implement solvation models #13
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@awvwgk awvwgk closed this as completed in #13 May 8, 2022
@awvwgk awvwgk mentioned this issue May 8, 2022
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Implement solvation models awvwgk/tblite
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