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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
** Fortran interface
** Fortran interfaces (exposed in qmckl_f.F90)
:PROPERTIES:
:Name: qmckl_sherman_morrison_naive
:CRetType: qmckl_exit_code
@ -550,7 +550,7 @@ interface
end interface
#+end_src
** Test
** Tests
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.
The tests are run such that the kernels reject the computed inverse whenever the computed