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Test: Turn off out_chg for inrelevant tests
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5 files changed

+4
-5
lines changed
  • tests
    • 01_PW
    • 05_rtTDDFT/11_NO_O3_TDDFT
    • 07_OFDFT/04_OF_KE_CPN5
    • 15_rtTDDFT_GPU/11_NO_O3_TDDFT_GPU

5 files changed

+4
-5
lines changed

tests/01_PW/035_PW_15_SO/INPUT

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -14,7 +14,7 @@ relax_nmax 1
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force_thr_ev 0.001
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out_level ie
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relax_method cg
17-
out_chg 1
17+
# out_chg 1
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#out_band 1
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#init_chg file
2020

tests/01_PW/098_PW_15_SO_avg/INPUT

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -14,7 +14,7 @@ relax_nmax 1
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force_thr_ev 0.001
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out_level ie
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relax_method cg
17-
out_chg 1
17+
# out_chg 1
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#out_band 1
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#init_chg file
2020

tests/05_rtTDDFT/11_NO_O3_TDDFT/INPUT

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -14,7 +14,7 @@ scf_nmax 30
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ks_solver genelpa
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basis_type lcao
17-
out_chg 1
17+
# out_chg 1
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gamma_only 0
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md_nstep 2
2020
estep_per_md 1

tests/07_OFDFT/04_OF_KE_CPN5/INPUT

Lines changed: 0 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -5,7 +5,6 @@ calculation scf
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esolver_type ofdft
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ntype 1
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symmetry 1
8-
out_chg 1
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pseudo_dir ../../PP_ORB/
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pseudo_rcut 16
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tests/15_rtTDDFT_GPU/11_NO_O3_TDDFT_GPU/INPUT

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -15,7 +15,7 @@ scf_nmax 30
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device gpu
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ks_solver cusolver
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basis_type lcao
18-
out_chg 1
18+
# out_chg 1
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gamma_only 0
2020
md_nstep 2
2121

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