fix bug of autotest for multi-kpoint tddft (#1862)

lyb9812 · web-flow · commit 1d4ccf8104e3 · 2023-02-07T17:32:33.000+08:00
diff --git a/tests/integrate/601_NO_TDDFT_H2_kpoint/INPUT b/tests/integrate/601_NO_TDDFT_H2_kpoint/INPUT
@@ -30,4 +30,4 @@ md_type		0
 md_dt			0.05
 init_vel                1
 ocp			1
-ocp_set			1*1 1*1 3*0	
+ocp_set                        1*0.5 1*0.5 3*0 1*0.5 1*0.5 3*0
diff --git a/tests/integrate/601_NO_TDDFT_H2_kpoint/KPT b/tests/integrate/601_NO_TDDFT_H2_kpoint/KPT
@@ -1,4 +1,4 @@
 K_POINTS
 0
 Gamma
-2 2 2 0 0 0
+2 1 1 0 0 0
diff --git a/tests/integrate/601_NO_TDDFT_H2_kpoint/result.ref b/tests/integrate/601_NO_TDDFT_H2_kpoint/result.ref
@@ -1,5 +1,5 @@
-etotref -18.04960576050729
-etotperatomref -9.0248028803
-totalforceref 43.687110
-totalstressref 77.352897
-totaltimeref +5.8883
+etotref -18.05387244304529
+etotperatomref -9.0269362215
+totalforceref 45.003706
+totalstressref 79.777732
+totaltimeref +6.7899
