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ELPA: disabled buggy ga_evp_real when requesting a subset of evals

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edoapra 2023-06-28 17:00:45 -07:00
parent 5d0ab8d56c
commit 1c8b243740
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src/nwdft/scf_dft/dft_diagn.F
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@ -268,6 +268,7 @@ c patching non computed eigenvectors with identity
nmoout=0
call ga_evp_real(g_s, g_svecs, evals,nb,nmoout)
elseif(yev.eq.'l') then
call errquit('yev=l disabled ',0,0)
nmoout=nocc
call ga_evp_real(g_s, g_svecs, evals,nb,nmoout)
call dft_idtyvecs(g_svecs,nmoout+1)