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use double precision to fix convention violation
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pseewald committed May 4, 2020
1 parent b04255b commit 39a048bdf36b9b3567f59fb051ea276b2d3e727f
Showing 1 changed file with 1 addition and 1 deletion.
@@ -1157,7 +1157,7 @@ SUBROUTINE hfx_ri_init_read_input(ri_data, ri_section, qs_kind_set, &
CALL section_vals_val_get(ri_section, "MEMORY_CUT", i_val=ri_data%n_mem)

IF (ri_data%flavor == ri_pmat) THEN
ri_data%n_mem = FLOOR(SQRT(REAL(ri_data%n_mem) - 0.1)) + 1
ri_data%n_mem = FLOOR(SQRT(REAL(ri_data%n_mem, dp) - 0.1)) + 1

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mkrack May 6, 2020


Why is the type conversion for ri_data%n_mem performed explicitly and then 0.1 and not 0.1_dp is added as a constant?

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pseewald May 6, 2020

Author Contributor

You're right, this commit is nonsense since the arithmetic is done in single precision anyway. The purpose of this commit was just to quickly fix coding conventions.


ri_data%orb_basis_type = orb_basis_type

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