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increase hard coded max rank of cholesky for ao_two_e_int

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Antoine Marie 2025-02-25 16:06:01 +01:00
parent d20ac13c4f
commit cbad838a34
1 changed files with 1 additions and 1 deletions
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src/ao_two_e_ints/cholesky.irp.f
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@ -178,7 +178,7 @@ END_PROVIDER
rank_max = np rank_max = np
! Avoid too large arrays when there are many electrons ! Avoid too large arrays when there are many electrons
if (elec_num > 10) then if (elec_num > 10) then
rank_max = min(np,20*elec_num*elec_num) rank_max = min(np,25*elec_num*elec_num)
endif endif
call mmap_create_d('', (/ ndim8, rank_max /), .False., .True., map) call mmap_create_d('', (/ ndim8, rank_max /), .False., .True., map)