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fix mo_map_size
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This commit is contained in:
Anthony Scemama 2024-10-17 19:29:47 +02:00
parent 48b4a8d1e2
commit fda1d77d9d
1 changed files with 3 additions and 3 deletions
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6
src/mo_two_e_ints/mo_bi_integrals.irp.f
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@ -70,6 +70,9 @@ BEGIN_PROVIDER [ logical, mo_two_e_integrals_in_map ]
else
call add_integrals_to_map(full_ijkl_bitmask_4)
endif
integer*8 :: get_mo_map_size, mo_map_size
mo_map_size = get_mo_map_size()
double precision, external :: map_mb
print*,'Molecular integrals provided:'
print*,' Size of MO map ', map_mb(mo_integrals_map) ,'MB'
@ -79,9 +82,6 @@ BEGIN_PROVIDER [ logical, mo_two_e_integrals_in_map ]
call wall_time(wall_2)
call cpu_time(cpu_2)
integer*8 :: get_mo_map_size, mo_map_size
mo_map_size = get_mo_map_size()
print*,' cpu time :',cpu_2 - cpu_1, 's'
print*,' wall time :',wall_2 - wall_1, 's ( x ', (cpu_2-cpu_1)/(wall_2-wall_1), ')'