recompile and update the ref

WHUweiqingzhou · WHUweiqingzhou · commit 1a42e1a68c59 · 2024-11-05T11:01:16.000+08:00
diff --git a/tests/integrate/101_PW_15_paw/result.ref b/tests/integrate/101_PW_15_paw/result.ref
@@ -1,7 +1,7 @@
-etotref -200.9137994781310681
-etotperatomref -100.4568997391
-totalforceref 0.126270
+etotref -200.9126364848390267
+etotperatomref -100.4563182424
+totalforceref 3.246238
 pointgroupref C_1h
 spacegroupref C_2h
 nksibzref 1
-totaltimeref 1.08
+totaltimeref 1.17
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_upf201_uspp_NaCl/result.ref b/tests/integrate/101_PW_upf201_uspp_NaCl/result.ref
@@ -1,8 +1,8 @@
-etotref -1675.0621003317010036
-etotperatomref -837.5310501659
-totalforceref 9.445820
-totalstressref 1646.111908
+etotref -1675.0621003321411990
+etotperatomref -837.5310501661
+totalforceref 9.445308
+totalstressref 1646.071377
 pointgroupref C_2v
 spacegroupref C_2v
 nksibzref 5
-totaltimeref 4.53
+totaltimeref 1.95
diff --git a/tests/integrate/102_PW_BPCG/result.ref b/tests/integrate/102_PW_BPCG/result.ref
@@ -1,8 +1,8 @@
-etotref -4869.7470519162961864
-etotperatomref -2434.8735259581
-totalforceref 5.198578
-totalstressref 37241.084444
+etotref -4869.7470519163989593
+etotperatomref -2434.8735259582
+totalforceref 5.198676
+totalstressref 37241.091710
 pointgroupref C_1
 spacegroupref C_1
 nksibzref 8
-totaltimeref 21.59
+totaltimeref 8.48
diff --git a/tests/integrate/107_PW_outWfcR/result.ref b/tests/integrate/107_PW_outWfcR/result.ref
@@ -1,12 +1,12 @@
 etotref -197.1405644417786
 etotperatomref -98.5702822209
 variance_wfc_r_0_0 0.31340
-variance_wfc_r_0_1 1.71056
+variance_wfc_r_0_1 1.71055
 variance_wfc_r_0_2 2.39603
 variance_wfc_r_0_3 1.66608
 variance_wfc_r_0_4 1.05190
 variance_wfc_r_0_5 1.29386
 pointgroupref T_d
 spacegroupref O_h
 nksibzref 1
-totaltimeref 0.55
+totaltimeref 0.29
diff --git a/tests/integrate/281_NO_KP_HSE/result.ref b/tests/integrate/281_NO_KP_HSE/result.ref
@@ -1,5 +1,5 @@
-etotref -205.1574472962826121
-etotperatomref -102.5787236481
-totalforceref 6.063270
-totalstressref 2214.184839
-totaltimeref 107.96
+etotref -205.1574473149258893
+etotperatomref -102.5787236575
+totalforceref 6.063264
+totalstressref 2214.185625
+totaltimeref 17.34
diff --git a/tests/integrate/286_NO_KP_CR_HSE/result.ref b/tests/integrate/286_NO_KP_CR_HSE/result.ref
@@ -1,3 +1,3 @@
-etotref -196.7310593702810593
-etotperatomref -98.3655296851
-totaltimeref 217.82
+etotref -196.7309328550116447
+etotperatomref -98.3654664275
+totaltimeref 48.78
