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Update Davidson parameters

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Anthony Scemama 2021-01-21 11:03:19 +01:00
parent 0c3c5fd926
commit 7e4d08f51f
1 changed files with 1 additions and 1 deletions
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src/davidson/davidson_parallel.irp.f
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@ -441,7 +441,7 @@ subroutine H_S2_u_0_nstates_zmq(v_0,s_0,u_0,N_st,sze)
if (imin==1) then if (imin==1) then
istep = 2 istep = 2
else else
istep = 1 istep = 2
endif endif
do ishift=0,istep-1 do ishift=0,istep-1
write(task(ipos:ipos+50),'(4(I11,1X),1X,1A)') imin, imax, ishift, istep, '|' write(task(ipos:ipos+50),'(4(I11,1X),1X,1A)') imin, imax, ishift, istep, '|'