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ErjieWuErjieWu
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Update DeePKS multi-k UT.
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-2743
lines changed

‎tests/deepks/100_NO_KP_deepks_UT/E_delta_bands_ref.dat‎

Lines changed: 1 addition & 1 deletion
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1-
0.009263625057
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0.01100090181

‎tests/deepks/100_NO_KP_deepks_UT/E_delta_ref.dat‎

Lines changed: 1 addition & 1 deletion
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-0.1886319006
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‎tests/deepks/100_NO_KP_deepks_UT/F_delta_ref.dat‎

Lines changed: 3 additions & 3 deletions
Original file line numberDiff line numberDiff line change
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‎tests/deepks/100_NO_KP_deepks_UT/KPT‎

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -1,4 +1,4 @@
11
K_POINTS
22
0
33
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4-
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4+
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‎tests/deepks/100_NO_KP_deepks_UT/descriptor_ref.dat‎

Lines changed: 45 additions & 45 deletions
Original file line numberDiff line numberDiff line change
@@ -1,51 +1,51 @@
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3535
H atom_index 2 n_descriptor 117
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‎tests/deepks/100_NO_KP_deepks_UT/dm_0‎

Lines changed: 6 additions & 6 deletions
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‎tests/deepks/100_NO_KP_deepks_UT/dm_1‎

Lines changed: 6 additions & 6 deletions
Original file line numberDiff line numberDiff line change
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‎tests/deepks/100_NO_KP_deepks_UT/dm_2‎

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‎tests/deepks/100_NO_KP_deepks_UT/dm_3‎

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‎tests/deepks/100_NO_KP_deepks_UT/dm_4‎

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