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Commit 8616c2c

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ye-luoye-luo
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Update referernce value and restore tolerance.
1 parent d7111d6 commit 8616c2c

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3 files changed

+27
-27
lines changed

3 files changed

+27
-27
lines changed

‎tests/solids/diamondC_2x1x1-Gaussian_pp/CMakeLists.txt

+3-3
Original file line numberDiff line numberDiff line change
@@ -172,15 +172,15 @@ if(QMC_MIXED_PRECISION)
172172
list(APPEND DET_DIAMOND-r2-t2_SCALARS "kinetic" "20.18278052 0.000516")
173173
list(APPEND DET_DIAMOND-r2-t2_SCALARS "potential" "-42.43359884 0.000025")
174174
list(APPEND DET_DIAMOND-r2-t2_SCALARS "eeenergy" "-5.10111755 0.000009")
175-
list(APPEND DET_DIAMOND-r2-t2_SCALARS "ionion" "-25.55133196 0.000001")
175+
list(APPEND DET_DIAMOND-r1-t4_SCALARS "ionion" "-25.55132413 0.000001")
176176
list(APPEND DET_DIAMOND-r2-t2_SCALARS "localecp" "-13.23969275 0.000051")
177177
list(APPEND DET_DIAMOND-r2-t2_SCALARS "nonlocalecp" "1.45854374 0.000026")
178178
else()
179179
list(APPEND DET_DIAMOND-r2-t2_SCALARS "totenergy" "-22.33983854 0.000516")
180180
list(APPEND DET_DIAMOND-r2-t2_SCALARS "kinetic" "19.92033326 0.000516")
181181
list(APPEND DET_DIAMOND-r2-t2_SCALARS "potential" "-42.26017180 0.000025")
182182
list(APPEND DET_DIAMOND-r2-t2_SCALARS "eeenergy" "-5.20581315 0.000009")
183-
list(APPEND DET_DIAMOND-r2-t2_SCALARS "ionion" "-25.55133196 0.000001")
183+
list(APPEND DET_DIAMOND-r1-t4_SCALARS "ionion" "-25.55132413 0.000001")
184184
list(APPEND DET_DIAMOND-r2-t2_SCALARS "localecp" "-13.59594410 0.000051")
185185
list(APPEND DET_DIAMOND-r2-t2_SCALARS "nonlocalecp" "2.09291777 0.000026")
186186
endif()
@@ -211,7 +211,7 @@ if(QMC_MIXED_PRECISION)
211211
list(APPEND DET_DIAMOND-r2-t3_SCALARS "kinetic" "17.83517172 0.000516")
212212
list(APPEND DET_DIAMOND-r2-t3_SCALARS "potential" "-39.52299737 0.000025")
213213
list(APPEND DET_DIAMOND-r2-t3_SCALARS "eeenergy" "-5.26867544 0.000009")
214-
list(APPEND DET_DIAMOND-r2-t3_SCALARS "ionion" "-25.55133196 0.000001")
214+
list(APPEND DET_DIAMOND-r1-t4_SCALARS "ionion" "-25.55132413 0.000001")
215215
list(APPEND DET_DIAMOND-r2-t3_SCALARS "localecp" "-10.28363113 0.000051")
216216
list(APPEND DET_DIAMOND-r2-t3_SCALARS "nonlocalecp" "1.58064151 0.000026")
217217
else()

‎tests/solids/diamondC_2x1x1-Gaussian_pp_MSD/CMakeLists.txt

+12-12
Original file line numberDiff line numberDiff line change
@@ -571,7 +571,7 @@ if(QMC_MIXED_PRECISION)
571571
list(APPEND det_diamondC_2x1x1-Gaussian_pp_MSD_VMC_DMC_BATCH_MWALKERS-r2-t2_1_SCALARS "eeenergy"
572572
"-4.40762368 0.0002")
573573
list(APPEND det_diamondC_2x1x1-Gaussian_pp_MSD_VMC_DMC_BATCH_MWALKERS-r2-t2_1_SCALARS "ionion"
574-
"-25.55133363 0.00002")
574+
"-25.55132413 0.000002")
575575
list(APPEND det_diamondC_2x1x1-Gaussian_pp_MSD_VMC_DMC_BATCH_MWALKERS-r2-t2_1_SCALARS "localecp"
576576
"-13.87483391 0.0002")
577577
list(APPEND det_diamondC_2x1x1-Gaussian_pp_MSD_VMC_DMC_BATCH_MWALKERS-r2-t2_1_SCALARS "nonlocalecp"
@@ -587,7 +587,7 @@ if(QMC_MIXED_PRECISION)
587587
list(APPEND det_diamondC_2x1x1-Gaussian_pp_MSD_VMC_DMC_BATCH_MWALKERS-r2-t2_2_SCALARS "eeenergy"
588588
"-4.87340890 0.0002")
589589
list(APPEND det_diamondC_2x1x1-Gaussian_pp_MSD_VMC_DMC_BATCH_MWALKERS-r2-t2_2_SCALARS "ionion"
590-
"-25.55133363 0.00002")
590+
"-25.55132413 0.000002")
591591
list(APPEND det_diamondC_2x1x1-Gaussian_pp_MSD_VMC_DMC_BATCH_MWALKERS-r2-t2_2_SCALARS "localecp"
592592
"-13.00551457 0.0002")
593593
list(APPEND det_diamondC_2x1x1-Gaussian_pp_MSD_VMC_DMC_BATCH_MWALKERS-r2-t2_2_SCALARS "nonlocalecp"
@@ -603,7 +603,7 @@ if(QMC_MIXED_PRECISION)
603603
list(APPEND det_diamondC_2x1x1-Gaussian_pp_MSD_VMC_DMC_BATCH_MWALKERS-r2-t2_3_SCALARS "eeenergy"
604604
"-4.62211747 0.0002")
605605
list(APPEND det_diamondC_2x1x1-Gaussian_pp_MSD_VMC_DMC_BATCH_MWALKERS-r2-t2_3_SCALARS "ionion"
606-
"-25.55133363 0.00002")
606+
"-25.55132413 0.000002")
607607
list(APPEND det_diamondC_2x1x1-Gaussian_pp_MSD_VMC_DMC_BATCH_MWALKERS-r2-t2_3_SCALARS "localecp"
608608
"-14.01500084 0.0004")
609609
list(APPEND det_diamondC_2x1x1-Gaussian_pp_MSD_VMC_DMC_BATCH_MWALKERS-r2-t2_3_SCALARS "nonlocalecp"
@@ -619,7 +619,7 @@ if(QMC_MIXED_PRECISION)
619619
list(APPEND det_diamondC_2x1x1-Gaussian_pp_MSD_VMC_DMC_BATCH_MWALKERS-r2-t2_1_SCALARS "eeenergy"
620620
"-4.44192720 0.0002")
621621
list(APPEND det_diamondC_2x1x1-Gaussian_pp_MSD_VMC_DMC_BATCH_MWALKERS-r2-t2_1_SCALARS "ionion"
622-
"-25.55133363 0.00002")
622+
"-25.55132413 0.000002")
623623
list(APPEND det_diamondC_2x1x1-Gaussian_pp_MSD_VMC_DMC_BATCH_MWALKERS-r2-t2_1_SCALARS "localecp"
624624
"-11.69255184 0.0002")
625625
list(APPEND det_diamondC_2x1x1-Gaussian_pp_MSD_VMC_DMC_BATCH_MWALKERS-r2-t2_1_SCALARS "nonlocalecp"
@@ -635,7 +635,7 @@ if(QMC_MIXED_PRECISION)
635635
list(APPEND det_diamondC_2x1x1-Gaussian_pp_MSD_VMC_DMC_BATCH_MWALKERS-r2-t2_2_SCALARS "eeenergy"
636636
"-4.23387512 0.0002")
637637
list(APPEND det_diamondC_2x1x1-Gaussian_pp_MSD_VMC_DMC_BATCH_MWALKERS-r2-t2_2_SCALARS "ionion"
638-
"-25.55133363 0.00002")
638+
"-25.55132413 0.000002")
639639
list(APPEND det_diamondC_2x1x1-Gaussian_pp_MSD_VMC_DMC_BATCH_MWALKERS-r2-t2_2_SCALARS "localecp"
640640
"-13.74506329 0.0002")
641641
list(APPEND det_diamondC_2x1x1-Gaussian_pp_MSD_VMC_DMC_BATCH_MWALKERS-r2-t2_2_SCALARS "nonlocalecp"
@@ -651,7 +651,7 @@ if(QMC_MIXED_PRECISION)
651651
list(APPEND det_diamondC_2x1x1-Gaussian_pp_MSD_VMC_DMC_BATCH_MWALKERS-r2-t2_3_SCALARS "eeenergy"
652652
"-3.69096631 0.0002")
653653
list(APPEND det_diamondC_2x1x1-Gaussian_pp_MSD_VMC_DMC_BATCH_MWALKERS-r2-t2_3_SCALARS "ionion"
654-
"-25.55133363 0.00002")
654+
"-25.55132413 0.000002")
655655
list(APPEND det_diamondC_2x1x1-Gaussian_pp_MSD_VMC_DMC_BATCH_MWALKERS-r2-t2_3_SCALARS "localecp"
656656
"-15.85799109 0.0005")
657657
list(APPEND det_diamondC_2x1x1-Gaussian_pp_MSD_VMC_DMC_BATCH_MWALKERS-r2-t2_3_SCALARS "nonlocalecp"
@@ -785,7 +785,7 @@ if(QMC_MIXED_PRECISION)
785785
list(APPEND det_diamondC_2x1x1-Gaussian_pp_MSD_VMC_DMC_BATCH_MWALKERS-r2-t3_1_SCALARS "eeenergy"
786786
"-4.90724094 0.00003")
787787
list(APPEND det_diamondC_2x1x1-Gaussian_pp_MSD_VMC_DMC_BATCH_MWALKERS-r2-t3_1_SCALARS "ionion"
788-
"-25.55133363 0.00002")
788+
"-25.55132413 0.000002")
789789
list(APPEND det_diamondC_2x1x1-Gaussian_pp_MSD_VMC_DMC_BATCH_MWALKERS-r2-t3_1_SCALARS "localecp"
790790
"-13.85965673 0.0002")
791791
list(APPEND det_diamondC_2x1x1-Gaussian_pp_MSD_VMC_DMC_BATCH_MWALKERS-r2-t3_1_SCALARS "nonlocalecp"
@@ -801,7 +801,7 @@ if(QMC_MIXED_PRECISION)
801801
list(APPEND det_diamondC_2x1x1-Gaussian_pp_MSD_VMC_DMC_BATCH_MWALKERS-r2-t3_2_SCALARS "eeenergy"
802802
"-4.45806315 0.00003")
803803
list(APPEND det_diamondC_2x1x1-Gaussian_pp_MSD_VMC_DMC_BATCH_MWALKERS-r2-t3_2_SCALARS "ionion"
804-
"-25.55133363 0.00002")
804+
"-25.55132413 0.000002")
805805
list(APPEND det_diamondC_2x1x1-Gaussian_pp_MSD_VMC_DMC_BATCH_MWALKERS-r2-t3_2_SCALARS "localecp"
806806
"-14.75288075 0.0002")
807807
list(APPEND det_diamondC_2x1x1-Gaussian_pp_MSD_VMC_DMC_BATCH_MWALKERS-r2-t3_2_SCALARS "nonlocalecp"
@@ -817,7 +817,7 @@ if(QMC_MIXED_PRECISION)
817817
list(APPEND det_diamondC_2x1x1-Gaussian_pp_MSD_VMC_DMC_BATCH_MWALKERS-r2-t3_3_SCALARS "eeenergy"
818818
"-4.81842941 0.00003")
819819
list(APPEND det_diamondC_2x1x1-Gaussian_pp_MSD_VMC_DMC_BATCH_MWALKERS-r2-t3_3_SCALARS "ionion"
820-
"-25.55133363 0.00002")
820+
"-25.55132413 0.000002")
821821
list(APPEND det_diamondC_2x1x1-Gaussian_pp_MSD_VMC_DMC_BATCH_MWALKERS-r2-t3_3_SCALARS "localecp"
822822
"-12.98244950 0.0002")
823823
list(APPEND det_diamondC_2x1x1-Gaussian_pp_MSD_VMC_DMC_BATCH_MWALKERS-r2-t3_3_SCALARS "nonlocalecp"
@@ -833,7 +833,7 @@ if(QMC_MIXED_PRECISION)
833833
list(APPEND det_diamondC_2x1x1-Gaussian_pp_MSD_VMC_DMC_BATCH_MWALKERS-r2-t3_1_SCALARS "eeenergy"
834834
"-4.45926415 0.00003")
835835
list(APPEND det_diamondC_2x1x1-Gaussian_pp_MSD_VMC_DMC_BATCH_MWALKERS-r2-t3_1_SCALARS "ionion"
836-
"-25.55133363 0.00002")
836+
"-25.55132413 0.000002")
837837
list(APPEND det_diamondC_2x1x1-Gaussian_pp_MSD_VMC_DMC_BATCH_MWALKERS-r2-t3_1_SCALARS "localecp"
838838
"-13.74208188 0.0002")
839839
list(APPEND det_diamondC_2x1x1-Gaussian_pp_MSD_VMC_DMC_BATCH_MWALKERS-r2-t3_1_SCALARS "nonlocalecp"
@@ -849,7 +849,7 @@ if(QMC_MIXED_PRECISION)
849849
list(APPEND det_diamondC_2x1x1-Gaussian_pp_MSD_VMC_DMC_BATCH_MWALKERS-r2-t3_2_SCALARS "eeenergy"
850850
"-4.93674832 0.00003")
851851
list(APPEND det_diamondC_2x1x1-Gaussian_pp_MSD_VMC_DMC_BATCH_MWALKERS-r2-t3_2_SCALARS "ionion"
852-
"-25.55133363 0.00002")
852+
"-25.55132413 0.000002")
853853
list(APPEND det_diamondC_2x1x1-Gaussian_pp_MSD_VMC_DMC_BATCH_MWALKERS-r2-t3_2_SCALARS "localecp"
854854
"-11.60307190 0.0002")
855855
list(APPEND det_diamondC_2x1x1-Gaussian_pp_MSD_VMC_DMC_BATCH_MWALKERS-r2-t3_2_SCALARS "nonlocalecp"
@@ -865,7 +865,7 @@ if(QMC_MIXED_PRECISION)
865865
list(APPEND det_diamondC_2x1x1-Gaussian_pp_MSD_VMC_DMC_BATCH_MWALKERS-r2-t3_3_SCALARS "eeenergy"
866866
"-5.59636306 0.00003")
867867
list(APPEND det_diamondC_2x1x1-Gaussian_pp_MSD_VMC_DMC_BATCH_MWALKERS-r2-t3_3_SCALARS "ionion"
868-
"-25.55133363 0.00002")
868+
"-25.55132413 0.000002")
869869
list(APPEND det_diamondC_2x1x1-Gaussian_pp_MSD_VMC_DMC_BATCH_MWALKERS-r2-t3_3_SCALARS "localecp"
870870
"-10.52715232 0.0002")
871871
list(APPEND det_diamondC_2x1x1-Gaussian_pp_MSD_VMC_DMC_BATCH_MWALKERS-r2-t3_3_SCALARS "nonlocalecp"

‎tests/solids/diamondC_2x1x1_pp/CMakeLists.txt

+12-12
Original file line numberDiff line numberDiff line change
@@ -1218,7 +1218,7 @@ if(QMC_MIXED_PRECISION)
12181218
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t2_1_SCALARS "kinetic" "19.06962113 0.0005")
12191219
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t2_1_SCALARS "potential" "-40.64912620 0.0001")
12201220
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t2_1_SCALARS "eeenergy" "-4.95910877 0.00003")
1221-
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t2_1_SCALARS "ionion" "-25.55133363 0.00002")
1221+
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t2_1_SCALARS "ionion" "-25.55132413 0.000002")
12221222
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t2_1_SCALARS "localecp" "-11.60386802 0.0002")
12231223
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t2_1_SCALARS "nonlocalecp" "1.46518242 0.0001")
12241224
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t2_1_SCALARS "flux" "9.88474603 0.001")
@@ -1228,7 +1228,7 @@ if(QMC_MIXED_PRECISION)
12281228
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t2_2_SCALARS "kinetic" "21.53688965 0.0005")
12291229
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t2_2_SCALARS "potential" "-42.95347106 0.0001")
12301230
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t2_2_SCALARS "eeenergy" "-5.02230991 0.00003")
1231-
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t2_2_SCALARS "ionion" "-25.55133363 0.00002")
1231+
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t2_2_SCALARS "ionion" "-25.55132413 0.000002")
12321232
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t2_2_SCALARS "localecp" "-13.10442235 0.0002")
12331233
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t2_2_SCALARS "nonlocalecp" "0.72460984 0.0001")
12341234
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t2_2_SCALARS "flux" "-12.59165665 0.001")
@@ -1238,7 +1238,7 @@ if(QMC_MIXED_PRECISION)
12381238
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t2_3_SCALARS "kinetic" "21.97625898 0.0005")
12391239
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t2_3_SCALARS "potential" "-43.55726217 0.0001")
12401240
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t2_3_SCALARS "eeenergy" "-5.25263408 0.00003")
1241-
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t2_3_SCALARS "ionion" "-25.55133363 0.00002")
1241+
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t2_3_SCALARS "ionion" "-25.55132413 0.000002")
12421242
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t2_3_SCALARS "localecp" "-14.40418877 0.0002")
12431243
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t2_3_SCALARS "nonlocalecp" "1.65089413 0.0001")
12441244
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t2_3_SCALARS "flux" "-10.97538990 0.001")
@@ -1248,7 +1248,7 @@ if(QMC_MIXED_PRECISION)
12481248
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t2_1_SCALARS "kinetic" "19.06945306 0.0005")
12491249
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t2_1_SCALARS "potential" "-40.64908701 0.0001")
12501250
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t2_1_SCALARS "eeenergy" "-4.95910877 0.00003")
1251-
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t2_1_SCALARS "ionion" "-25.55132413 0.00002")
1251+
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t2_1_SCALARS "ionion" "-25.55132413 0.000002")
12521252
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t2_1_SCALARS "localecp" "-11.60386802 0.0002")
12531253
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t2_1_SCALARS "nonlocalecp" "1.46522161 0.0001")
12541254
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t2_1_SCALARS "flux" "9.88054883 0.001")
@@ -1258,7 +1258,7 @@ if(QMC_MIXED_PRECISION)
12581258
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t2_2_SCALARS "kinetic" "21.54062110 0.0005")
12591259
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t2_2_SCALARS "potential" "-42.95374255 0.0001")
12601260
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t2_2_SCALARS "eeenergy" "-5.02235546 0.00003")
1261-
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t2_2_SCALARS "ionion" "-25.55132413 0.00002")
1261+
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t2_2_SCALARS "ionion" "-25.55132413 0.000002")
12621262
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t2_2_SCALARS "localecp" "-13.10432010 0.0002")
12631263
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t2_2_SCALARS "nonlocalecp" "0.72425784 0.0001")
12641264
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t2_2_SCALARS "flux" "-12.59721251 0.001")
@@ -1268,7 +1268,7 @@ if(QMC_MIXED_PRECISION)
12681268
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t2_3_SCALARS "kinetic" "21.97767070 0.0005")
12691269
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t2_3_SCALARS "potential" "-43.55734994 0.0001")
12701270
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t2_3_SCALARS "eeenergy" "-5.25255007 0.00003")
1271-
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t2_3_SCALARS "ionion" "-25.55132413 0.00002")
1271+
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t2_3_SCALARS "ionion" "-25.55132413 0.000002")
12721272
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t2_3_SCALARS "localecp" "-14.40431020 0.0002")
12731273
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t2_3_SCALARS "nonlocalecp" "1.65084377 0.0001")
12741274
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t2_3_SCALARS "flux" "-10.97712288 0.001")
@@ -1376,7 +1376,7 @@ if(QMC_MIXED_PRECISION)
13761376
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t3_1_SCALARS "kinetic" "20.19340480 0.0005")
13771377
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t3_1_SCALARS "potential" "-41.91131606 0.0001")
13781378
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t3_1_SCALARS "eeenergy" "-4.94686188 0.00003")
1379-
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t3_1_SCALARS "ionion" "-25.55133363 0.00002")
1379+
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t3_1_SCALARS "ionion" "-25.55132413 0.000002")
13801380
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t3_1_SCALARS "localecp" "-13.34477165 0.0002")
13811381
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t3_1_SCALARS "nonlocalecp" "1.93165028 0.0001")
13821382
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t3_1_SCALARS "flux" "-10.14767210 0.001")
@@ -1386,7 +1386,7 @@ if(QMC_MIXED_PRECISION)
13861386
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t3_2_SCALARS "kinetic" "21.53819515 0.0005")
13871387
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t3_2_SCALARS "potential" "-43.52735438 0.0001")
13881388
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t3_2_SCALARS "eeenergy" "-5.77073014 0.00003")
1389-
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t3_2_SCALARS "ionion" "-25.55133363 0.00002")
1389+
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t3_2_SCALARS "ionion" "-25.55132413 0.000002")
13901390
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t3_2_SCALARS "localecp" "-13.96799663 0.0002")
13911391
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t3_2_SCALARS "nonlocalecp" "1.76270731 0.0001")
13921392
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t3_2_SCALARS "flux" "2.38005678 0.001")
@@ -1396,7 +1396,7 @@ if(QMC_MIXED_PRECISION)
13961396
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t3_3_SCALARS "kinetic" "21.24965809 0.0005")
13971397
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t3_3_SCALARS "potential" "-43.23329602 0.0001")
13981398
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t3_3_SCALARS "eeenergy" "-5.54241465 0.00003")
1399-
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t3_3_SCALARS "ionion" "-25.55133363 0.00002")
1399+
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t3_3_SCALARS "ionion" "-25.55132413 0.000002")
14001400
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t3_3_SCALARS "localecp" "-14.52283021 0.0002")
14011401
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t3_3_SCALARS "nonlocalecp" "2.38327034 0.0001")
14021402
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t3_3_SCALARS "flux" "0.18637741 0.001")
@@ -1406,7 +1406,7 @@ if(QMC_MIXED_PRECISION)
14061406
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t3_1_SCALARS "kinetic" "20.19428493 0.0005")
14071407
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t3_1_SCALARS "potential" "-41.91131162 0.0001")
14081408
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t3_1_SCALARS "eeenergy" "-4.94686188 0.00003")
1409-
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t3_1_SCALARS "ionion" "-25.55133363 0.00002")
1409+
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t3_1_SCALARS "ionion" "-25.55132413 0.000002")
14101410
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t3_1_SCALARS "localecp" "-13.34477165 0.0002")
14111411
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t3_1_SCALARS "nonlocalecp" "1.93165472 0.0001")
14121412
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t3_1_SCALARS "flux" "-10.14942551 0.001")
@@ -1416,7 +1416,7 @@ if(QMC_MIXED_PRECISION)
14161416
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t3_2_SCALARS "kinetic" "21.53710746 0.0005")
14171417
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t3_2_SCALARS "potential" "-43.52725913 0.0001")
14181418
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t3_2_SCALARS "eeenergy" "-5.77057594 0.00003")
1419-
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t3_2_SCALARS "ionion" "-25.55133363 0.00002")
1419+
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t3_2_SCALARS "ionion" "-25.55132413 0.000002")
14201420
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t3_2_SCALARS "localecp" "-13.96787348 0.0002")
14211421
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t3_2_SCALARS "nonlocalecp" "1.76250879 0.0001")
14221422
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t3_2_SCALARS "flux" "2.38866285 0.001")
@@ -1426,7 +1426,7 @@ if(QMC_MIXED_PRECISION)
14261426
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t3_3_SCALARS "kinetic" "21.25165864 0.0005")
14271427
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t3_3_SCALARS "potential" "-43.23306179 0.0001")
14281428
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t3_3_SCALARS "eeenergy" "-5.54248445 0.00003")
1429-
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t3_3_SCALARS "ionion" "-25.55133363 0.00002")
1429+
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t3_3_SCALARS "ionion" "-25.55132413 0.000002")
14301430
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t3_3_SCALARS "localecp" "-14.52254631 0.0002")
14311431
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t3_3_SCALARS "nonlocalecp" "2.38328871 0.0001")
14321432
list(APPEND DET_DIAMOND2_VMC_DMC_BATCH_MWALKERS-r2-t3_3_SCALARS "flux" "0.17778549 0.001")

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