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Commit f6536e3

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dyzheng
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Fix: reference of forces in Gamma_only cases
1 parent b93a415 commit f6536e3

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4 files changed

+8
-8
lines changed

4 files changed

+8
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lines changed

‎tests/integrate/934_NO_Si2_dzp_neq_GPU/result.ref‎

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etotref -200.9596900406533280
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etotref -200.9596900406574775
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etotperatomref -100.4798450203
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totalforceref 143.742152
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totalforceref 143.738992
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totalstressref 18521.013103
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pointgroupref C_1
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spacegroupref S_2

‎tests/integrate/934_NO_Si2_dzp_neq_ns2_GPU/result.ref‎

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etotref -200.9596872554600964
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etotref -200.9596872554638480
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etotperatomref -100.4798436277
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totalforceref 143.742152
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totalforceref 143.738990
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totalstressref 18521.013099
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pointgroupref C_1
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spacegroupref S_2

‎tests/integrate/934_NO_Si2_tzdp_neq_GPU/result.ref‎

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etotref -202.0113293338589529
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etotref -202.0113293338656604
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etotperatomref -101.0056646669
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totalforceref 154.397572
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totalforceref 154.397454
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totalstressref 8606.355128
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pointgroupref C_1
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spacegroupref S_2

‎tests/integrate/934_NO_Si2_tzdp_neq_ns2_GPU/result.ref‎

Lines changed: 2 additions & 2 deletions
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etotref -202.0113267424005130
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etotref -202.0113267424063963
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etotperatomref -101.0056633712
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totalforceref 154.397574
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totalforceref 154.397456
44
totalstressref 8606.356131
55
pointgroupref C_1
66
spacegroupref S_2

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