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16 followers · 25 following · 63
  • IWR, Heidelberg University
  • Heidelberg

Highlights

  • Arctic Code Vault Contributor
  • Pro

Organizations

@adc-connect

Pinned

  1. cppe

    C++ and Python library for Polarizable Embedding

    C++ 9 3

  2. adc-connect/adcc

    adcc: Seamlessly connect your program to ADC

    Python 18 1

  3. pycontact

    Analysis of non-covalent interactions in MD trajectories

    Python 12 7

  4. cppe_examples

    Polarizable Embedding (PE) example calculations using the CPPE library

    Python

427 contributions in the last year

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Activity overview
Contributed to adc-connect/adcc, maxscheurer/cppe, psi4/psi4 and 5 other repositories

Contribution activity

November 2020

Created 5 commits in 1 repository

Created a pull request in MolSSI/QCEngine that received 16 comments

Add adcc harness

Description This PR adds a harness for adcc, a Python-driven toolkit for excited states within the algebraic-diagrammatic construction scheme for …

+231 −1 • 16 comments
Opened 1 other pull request in 1 repository
maxscheurer/cppe
1 merged
Reviewed 4 pull requests in 2 repositories
1 contribution in private repositories Nov 14

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