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update DOS in integrated tests
1 parent 39448c4 commit fa2d6f7

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3 files changed

+3
-5
lines changed

3 files changed

+3
-5
lines changed

source/module_io/write_eband_terms.hpp

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -110,7 +110,7 @@ void write_eband_terms(const int nspin,
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if_gamma_fix(v_pp_local_R_ao);
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std::vector<std::vector<double>> e_orb_pp_local;
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hamilt::Veff<hamilt::OperatorLCAO<TK, TR>> v_pp_local_op(gint, i
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hamilt::Veff<hamilt::OperatorLCAO<TK, TR>> v_pp_local_op(gint,
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&v_pp_local_k_ao,
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kv.kvec_d,
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&pot_local,
Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -1,5 +1,5 @@
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etotref -206.9728084455294
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etotperatomref -103.4864042228
3-
totaldosref 1190.44
3+
totaldosref 11.9146
44
CompareBand_pass 0
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totaltimeref 0.38

tests/integrate/tools/catch_properties.sh

Lines changed: 1 addition & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -130,11 +130,9 @@ fi
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# echo $total_charge
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#-------------------------------
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if ! test -z "$has_dos" && [ $has_dos == 1 ]; then
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total_dos=`cat OUT.autotest/DOS1_smearing.dat | awk 'END {print}' | awk '{print $3}'`
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total_dos=`cat OUT.autotest/DOS1_smear.dat | awk 'END {print}' | awk '{print $3}'`
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echo "totaldosref $total_dos" >> $1
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fi
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#smearing_dos=`sum_file OUT.autotest/DOS1_smearing.dat`
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#echo "totaldossmearing $smearing_dos" >> $1
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#-------------------------------
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# Onsager coefficiency

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