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@dftd4 @grimme-lab
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Pinned

  1. Semiempirical Extended Tight-Binding Program Package

    Fortran 60 16

  2. A Generally Applicable Atomic-Charge Dependent London Dispersion Correction

    Fortran 17 11

  3. 1
    !> implemenation of a list of atoms
    2
    module tbdef_atomlist
    3
       implicit none
    4
       public :: tb_atomlist
    5
       public :: size, len, assignment(=), write(formatted), read(formatted)

236 contributions in the last year

Oct Nov Dec Jan Feb Mar Apr May Jun Jul Aug Sep Oct Mon Wed Fri
Activity overview
Contributed to grimme-lab/xtb_docs, dftd4/dftd4, grimme-lab/xtb and 5 other repositories
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Contribution activity

October 2019

Created a pull request in grimme-lab/xtb that received 1 comment

add contribution guidelines to xtb

Since we already took the step to go open source, we should also commit to the idea of an open source community. I wrote up contributing guidelines…

+151 −16 1 comment

Created an issue in jhrmnn/libmbd that received 3 comments

memory problem when trying to compile libmbd

I tried compiling libmbd on my local machine but failed at > mkdir build && cd build > cmake .. -- The Fortran compiler identification is GNU 9.2.0…

3 comments

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