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Reorganising ORG file.

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Francois Coppens 2023-02-13 15:08:37 +01:00
parent 6ad4aabdfa
commit c0d4f766b1
1 changed files with 51 additions and 51 deletions
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@ -465,7 +465,7 @@ qmckl_exit_code qmckl_sherman_morrison_naive(const qmckl_context context,
} }
#+end_src #+end_src
** Fortran interface ** Fortran interfaces (exposed in qmckl_f.F90)
:PROPERTIES: :PROPERTIES:
:Name: qmckl_sherman_morrison_naive :Name: qmckl_sherman_morrison_naive
:CRetType: qmckl_exit_code :CRetType: qmckl_exit_code
@ -550,7 +550,7 @@ interface
end interface end interface
#+end_src #+end_src
** Test ** Tests
The tests for the kernels are executed on datasets that are extracted from a run of The tests for the kernels are executed on datasets that are extracted from a run of
QMC=Chem on Benzene (21 spin-up/21 spin down electrons) using 329 unique alpha determinants. QMC=Chem on Benzene (21 spin-up/21 spin down electrons) using 329 unique alpha determinants.
The tests are run such that the kernels reject the computed inverse whenever the computed The tests are run such that the kernels reject the computed inverse whenever the computed