deepmodeling · mohanchen · Nov 21, 2024 · Nov 4, 2024 · Nov 4, 2024 · Nov 4, 2024
diff --git a/tests/integrate/101_PW_15_lowz/result.ref b/tests/integrate/101_PW_15_lowz/result.ref
@@ -1,6 +1,6 @@
-etotref -4.478852318078602
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diff --git a/tests/integrate/101_PW_15_lowz/threshold b/tests/integrate/101_PW_15_lowz/threshold
diff --git a/tests/integrate/101_PW_15_paw/result.ref b/tests/integrate/101_PW_15_paw/result.ref
@@ -1,7 +1,7 @@
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diff --git a/tests/integrate/101_PW_15_paw/threshold b/tests/integrate/101_PW_15_paw/threshold
diff --git a/tests/integrate/101_PW_Coulomb/result.ref b/tests/integrate/101_PW_Coulomb/result.ref
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diff --git a/tests/integrate/101_PW_Coulomb/threshold b/tests/integrate/101_PW_Coulomb/threshold
diff --git a/tests/integrate/101_PW_blps_pseudopots/result.ref b/tests/integrate/101_PW_blps_pseudopots/result.ref
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diff --git a/tests/integrate/101_PW_blps_pseudopots/threshold b/tests/integrate/101_PW_blps_pseudopots/threshold
diff --git a/tests/integrate/101_PW_upf201_uspp_NaCl/result.ref b/tests/integrate/101_PW_upf201_uspp_NaCl/result.ref
@@ -1,8 +1,8 @@
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diff --git a/tests/integrate/101_PW_upf201_uspp_NaCl/threshold b/tests/integrate/101_PW_upf201_uspp_NaCl/threshold
diff --git a/tests/integrate/102_PW_BPCG/result.ref b/tests/integrate/102_PW_BPCG/result.ref
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diff --git a/tests/integrate/102_PW_BPCG/threshold b/tests/integrate/102_PW_BPCG/threshold
diff --git a/tests/integrate/103_PW_CF_CS_S1_smallg/result.ref b/tests/integrate/103_PW_CF_CS_S1_smallg/result.ref
@@ -1,8 +1,8 @@
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diff --git a/tests/integrate/103_PW_CF_CS_S1_smallg/threshold b/tests/integrate/103_PW_CF_CS_S1_smallg/threshold
diff --git a/tests/integrate/103_PW_CF_CS_S2_smallg/result.ref b/tests/integrate/103_PW_CF_CS_S2_smallg/result.ref
@@ -1,8 +1,8 @@
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diff --git a/tests/integrate/103_PW_CF_CS_S2_smallg/threshold b/tests/integrate/103_PW_CF_CS_S2_smallg/threshold
diff --git a/tests/integrate/104_PW_NC_magnetic/result.ref b/tests/integrate/104_PW_NC_magnetic/result.ref
@@ -1,5 +1,5 @@
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diff --git a/tests/integrate/104_PW_NC_magnetic/threshold b/tests/integrate/104_PW_NC_magnetic/threshold
diff --git a/tests/integrate/105_PW_FD_smearing/result.ref b/tests/integrate/105_PW_FD_smearing/result.ref
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diff --git a/tests/integrate/105_PW_FD_smearing/threshold b/tests/integrate/105_PW_FD_smearing/threshold
diff --git a/tests/integrate/105_PW_GA_smearing/result.ref b/tests/integrate/105_PW_GA_smearing/result.ref
@@ -1,6 +1,6 @@
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diff --git a/tests/integrate/105_PW_GA_smearing/threshold b/tests/integrate/105_PW_GA_smearing/threshold
diff --git a/tests/integrate/107_PW_outWfcR/result.ref b/tests/integrate/107_PW_outWfcR/result.ref
@@ -1,12 +1,12 @@
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diff --git a/tests/integrate/107_PW_outWfcR/threshold b/tests/integrate/107_PW_outWfcR/threshold
diff --git a/tests/integrate/108_PW_RE/result.ref b/tests/integrate/108_PW_RE/result.ref
@@ -1,5 +1,5 @@
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diff --git a/tests/integrate/108_PW_RE/threshold b/tests/integrate/108_PW_RE/threshold
diff --git a/tests/integrate/108_PW_RE_MB/result.ref b/tests/integrate/108_PW_RE_MB/result.ref
@@ -1,7 +1,7 @@
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diff --git a/tests/integrate/108_PW_RE_MB/threshold b/tests/integrate/108_PW_RE_MB/threshold
diff --git a/tests/integrate/109_PW_CR_fix_a/result.ref b/tests/integrate/109_PW_CR_fix_a/result.ref
@@ -1,5 +1,5 @@
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diff --git a/tests/integrate/109_PW_CR_fix_a/threshold b/tests/integrate/109_PW_CR_fix_a/threshold
diff --git a/tests/integrate/109_PW_CR_fix_ab/result.ref b/tests/integrate/109_PW_CR_fix_ab/result.ref
@@ -1,5 +1,5 @@
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diff --git a/tests/integrate/109_PW_CR_fix_ab/threshold b/tests/integrate/109_PW_CR_fix_ab/threshold
diff --git a/tests/integrate/109_PW_CR_fix_abc/result.ref b/tests/integrate/109_PW_CR_fix_abc/result.ref
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diff --git a/tests/integrate/109_PW_CR_fix_abc/threshold b/tests/integrate/109_PW_CR_fix_abc/threshold
diff --git a/tests/integrate/109_PW_CR_fix_ac/result.ref b/tests/integrate/109_PW_CR_fix_ac/result.ref
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diff --git a/tests/integrate/109_PW_CR_fix_ac/threshold b/tests/integrate/109_PW_CR_fix_ac/threshold
diff --git a/tests/integrate/109_PW_CR_fix_b/result.ref b/tests/integrate/109_PW_CR_fix_b/result.ref
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diff --git a/tests/integrate/109_PW_CR_fix_b/threshold b/tests/integrate/109_PW_CR_fix_b/threshold
diff --git a/tests/integrate/109_PW_CR_fix_bc/result.ref b/tests/integrate/109_PW_CR_fix_bc/result.ref
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diff --git a/tests/integrate/109_PW_CR_fix_bc/threshold b/tests/integrate/109_PW_CR_fix_bc/threshold
diff --git a/tests/integrate/109_PW_CR_fix_c/result.ref b/tests/integrate/109_PW_CR_fix_c/result.ref
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diff --git a/tests/integrate/109_PW_CR_fix_c/threshold b/tests/integrate/109_PW_CR_fix_c/threshold
diff --git a/tests/integrate/109_PW_CR_moveatoms/result.ref b/tests/integrate/109_PW_CR_moveatoms/result.ref
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diff --git a/tests/integrate/109_PW_CR_moveatoms/threshold b/tests/integrate/109_PW_CR_moveatoms/threshold
diff --git a/tests/integrate/110_PW_SY_symmetry_LiRh/result.ref b/tests/integrate/110_PW_SY_symmetry_LiRh/result.ref
@@ -1,6 +1,3 @@
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diff --git a/tests/integrate/110_PW_SY_symmetry_LiRh/threshold b/tests/integrate/110_PW_SY_symmetry_LiRh/threshold
diff --git a/tests/integrate/111_PW_S2_elec_add/result.ref b/tests/integrate/111_PW_S2_elec_add/result.ref
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diff --git a/tests/integrate/111_PW_S2_elec_add/threshold b/tests/integrate/111_PW_S2_elec_add/threshold