test: regenerate ref files for scf_out_hsr, scf_out_hsr_spin4, nscf_out_hsr_tr_rr

Update reference files to match new CSR output format from out_mat_hs2 refactor.

Co-Authored-By: Claude Opus 4.6 <noreply@anthropic.com>

Author: dyzheng

tests/03_NAO_multik/nscf_out_hsr_tr_rr/result.ref

@@ -1,6 +1,6 @@
-etotref -205.4532897097782
+etotref -205.4532897097783
 etotperatomref -102.7266448549
 CompareSR_pass 0
 ComparerR_pass 0
 ComparerTR_pass 0
-totaltimeref 2.21
+totaltimeref 2.93

tests/03_NAO_multik/nscf_out_hsr_tr_rr/rr.csr.ref

@@ -1,4 +1,4 @@
-etotref -204.0944495273070
+etotref -204.0944495273071
 etotperatomref -102.0472247637
 CompareSR_pass 0
-totaltimeref 0.30656
+totaltimeref 0.50

tests/03_NAO_multik/nscf_out_hsr_tr_rr/srs1_nao.csr.ref

@@ -2,6 +2,6 @@ STEP: 0
 Matrix Dimension of H(R): 26
 Matrix number of H(R): 1
 0 0 0 42
- (-1.04982955e+00,0.00000000e+00) (7.32143243e-03,0.00000000e+00) (-8.30677731e-01,0.00000000e+00) (6.27107181e-02,0.00000000e+00) (7.32143243e-03,0.00000000e+00) (5.68438617e-01,0.00000000e+00) (6.27107181e-02,0.00000000e+00) (6.65870172e-01,0.00000000e+00) (-4.21502271e-01,0.00000000e+00) (5.00031210e-02,0.00000000e+00) (-2.00195327e-01,0.00000000e+00) (1.42407942e-01,0.00000000e+00) (-4.21502271e-01,0.00000000e+00) (5.00031210e-02,0.00000000e+00) (-2.00195327e-01,0.00000000e+00) (1.42407942e-01,0.00000000e+00) (-4.21502271e-01,0.00000000e+00) (5.00031210e-02,0.00000000e+00) (-2.00195327e-01,0.00000000e+00) (1.42407942e-01,0.00000000e+00) (5.00031210e-02,0.00000000e+00) (8.94484515e-01,0.00000000e+00) (1.42407942e-01,0.00000000e+00) (1.06712272e+00,0.00000000e+00) (5.00031210e-02,0.00000000e+00) (8.94484515e-01,0.00000000e+00) (1.42407942e-01,0.00000000e+00) (1.06712272e+00,0.00000000e+00) (5.00031210e-02,0.00000000e+00) (8.94484515e-01,0.00000000e+00) (1.42407942e-01,0.00000000e+00) (1.06712272e+00,0.00000000e+00) (1.63832203e+00,0.00000000e+00) (1.81226042e+00,0.00000000e+00) (1.63894284e+00,0.00000000e+00) (1.81310832e+00,0.00000000e+00) (1.63894284e+00,0.00000000e+00) (1.81310832e+00,0.00000000e+00) (1.63832203e+00,0.00000000e+00) (1.81226042e+00,0.00000000e+00) (1.63894284e+00,0.00000000e+00) (1.81310832e+00,0.00000000e+00)
+ (-1.04982955e+00,0.00000000e+00) (7.32143569e-03,0.00000000e+00) (-8.30677740e-01,0.00000000e+00) (6.27107088e-02,0.00000000e+00) (7.32143569e-03,0.00000000e+00) (5.68438616e-01,0.00000000e+00) (6.27107088e-02,0.00000000e+00) (6.65870179e-01,0.00000000e+00) (-4.21502275e-01,0.00000000e+00) (5.00031171e-02,0.00000000e+00) (-2.00195323e-01,0.00000000e+00) (1.42407956e-01,0.00000000e+00) (-4.21502275e-01,0.00000000e+00) (5.00031171e-02,0.00000000e+00) (-2.00195323e-01,0.00000000e+00) (1.42407956e-01,0.00000000e+00) (-4.21502275e-01,0.00000000e+00) (5.00031171e-02,0.00000000e+00) (-2.00195323e-01,0.00000000e+00) (1.42407956e-01,0.00000000e+00) (5.00031171e-02,0.00000000e+00) (8.94484505e-01,0.00000000e+00) (1.42407956e-01,0.00000000e+00) (1.06712276e+00,0.00000000e+00) (5.00031171e-02,0.00000000e+00) (8.94484505e-01,0.00000000e+00) (1.42407956e-01,0.00000000e+00) (1.06712276e+00,0.00000000e+00) (5.00031171e-02,0.00000000e+00) (8.94484505e-01,0.00000000e+00) (1.42407956e-01,0.00000000e+00) (1.06712276e+00,0.00000000e+00) (1.63832203e+00,0.00000000e+00) (1.81226041e+00,0.00000000e+00) (1.63894284e+00,0.00000000e+00) (1.81310830e+00,0.00000000e+00) (1.63894284e+00,0.00000000e+00) (1.81310830e+00,0.00000000e+00) (1.63832203e+00,0.00000000e+00) (1.81226041e+00,0.00000000e+00) (1.63894284e+00,0.00000000e+00) (1.81310830e+00,0.00000000e+00)
  0 2 1 3 0 2 1 3 4 10 5 11 6 12 7 13 8 14 9 15 4 10 5 11 6 12 7 13 8 14 9 15 16 17 18 19 20 21 22 23 24 25
  0 2 4 6 8 10 12 14 16 18 20 22 24 26 28 30 32 33 34 35 36 37 38 39 40 41 42

tests/03_NAO_multik/scf_out_hsr/hrs1_nao.csr.ref

@@ -1,7 +1,5 @@
-etotref -147.1491473781199
-etotperatomref -147.1491473781
-CompareH_pass 0
-CompareS_pass 0
+etotref -147.1491473718391
+etotperatomref -147.1491473718
 CompareSR_pass 0
 ComparerR_pass 0
-totaltimeref 4.94
+totaltimeref 5.17