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Commit f1acbd4

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Jerome Jackson
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replace fortran binary spn test data with portable ascii
1 parent 3eeb834 commit f1acbd4

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4 files changed

+7
-1
lines changed
  • test-suite
    • checkpoints/pt_shc_higher_postw90
    • tests
      • testpostw90_pt_shc_higher
      • testpostw90_pt_shc_ryoo_transl_inv
      • testpostw90_pt_shc_ryoo

4 files changed

+7
-1
lines changed
-87.6 KB
Binary file not shown.

test-suite/tests/testpostw90_pt_shc_higher/Pt.win

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@@ -27,6 +27,8 @@ shc_alpha = 1
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shc_beta = 2
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shc_gamma = 3
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shc_method = qiao
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spn_formatted = true
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fermi_energy_min = 6
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fermi_energy_max = 26
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fermi_energy_step = 0.1

test-suite/tests/testpostw90_pt_shc_ryoo/Pt.win

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@@ -25,6 +25,8 @@ shc_gamma=1
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shc_alpha=3
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shc_beta=2
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spn_formatted = true
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begin unit_cell_cart
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bohr
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-3.6963 0.000 3.6963
@@ -103,4 +105,4 @@ begin kpoints
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0.75000000 0.75000000 0.25000000
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0.75000000 0.75000000 0.50000000
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0.75000000 0.75000000 0.75000000
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end kpoints
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end kpoints

test-suite/tests/testpostw90_pt_shc_ryoo_transl_inv/Pt.win

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Original file line numberDiff line numberDiff line change
@@ -27,6 +27,8 @@ shc_gamma=1
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shc_alpha=3
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shc_beta=2
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spn_formatted = true
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begin unit_cell_cart
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bohr
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-3.6963 0.000 3.6963

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