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changed the davidson non sym keyword

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eginer 2022-10-22 23:00:06 +02:00
parent 7d05268ec8
commit 97c6afda39
2 changed files with 5 additions and 5 deletions
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8
src/dav_general_mat/dav_ext_rout_nonsym_B1space.irp.f
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@ -128,10 +128,10 @@ subroutine davidson_general_ext_rout_nonsym_b1space(u_in, H_jj, energies, sze, N
if(itermax > 4) then if(itermax > 4) then
itermax = itermax - 1 itermax = itermax - 1
else if (m==1.and.disk_based_davidson) then ! else if (m==1.and.disk_based_davidson) then
m = 0 ! m = 0
disk_based = .True. ! disk_based = .True.
itermax = 6 ! itermax = 6
else else
nproc_target = nproc_target - 1 nproc_target = nproc_target - 1
endif endif

2
src/tc_keywords/j1b_pen.irp.f
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@ -47,7 +47,7 @@ BEGIN_PROVIDER [ double precision, j1b_pen, (nucl_num) ]
integer :: i integer :: i
do i = 1, nucl_num do i = 1, nucl_num
j1b_pen(i) = 1.d0 j1b_pen(i) = 100.d0
enddo enddo
endif endif