change ref results for no cauchy screening

tests/integrate/207_NO_KP_OXC/k-1-Vxc.ref

@@ -1,6 +1,6 @@
-6 (-1.0380257,-9.1715914e-18) (1.6950854e-09,-5.8358572e-16) (-7.9459797e-14,2.7480905e-16) (-1.4379632e-13,1.4485964e-16) (-4.9287726e-08,7.9517444e-16) (3.7112802e-10,2.4852013e-13)
- (-0.96486687,1.2683964e-15) (-6.1188291e-10,1.9292721e-12) (6.1295176e-10,2.4189565e-13) (-0.11982452,1.2764982e-14) (-1.4630482e-14,3.9609665e-16)
- (-1.056769,2.6844846e-16) (-5.86668e-14,6.6949484e-17) (4.4514804e-10,9.9148768e-13) (7.0370707e-09,7.0024915e-11)
- (-1.056769,2.6702544e-16) (-1.3573452e-09,1.2431453e-13) (2.4232361e-08,9.7981022e-12)
- (-0.65257229,1.1386688e-16) (-1.7908122e-15,-5.9792242e-18)
- (-0.6400041,-9.1615084e-18)
+6 (-1.0394425,-3.7363449e-16) (3.9703113e-10,8.3455762e-16) (4.4417161e-14,5.5568749e-17) (-2.4341466e-13,4.3883506e-17) (-2.0039369e-09,5.8451215e-16) (1.9596449e-11,6.8294051e-12)
+ (-0.96326621,1.2640312e-15) (-1.4831543e-09,-4.0086346e-12) (8.370459e-10,-5.1125035e-13) (0.12202161,-5.3763309e-15) (1.7561473e-14,3.428681e-15)
+ (-1.0644129,2.3743998e-16) (-7.1678774e-15,-2.6869918e-16) (-1.4937099e-09,4.0465037e-12) (2.5345497e-09,8.0997135e-10)
+ (-1.0644129,2.3735151e-16) (8.1785897e-10,5.1608006e-13) (-7.4156745e-10,-2.3462101e-10)
+ (-0.65468695,1.1556487e-16) (4.4158931e-15,1.0408529e-15)
+ (-0.65149008,-4.4004079e-17)

tests/integrate/207_NO_KP_OXC/kinetic_out.ref

@@ -1,15 +1,15 @@
 2
 1
 6
-7.5338982275919106e-02	2.0500788809470163e+00
-6.9290936005296899e-01	1.8855030988507920e+01
-6.9290936005302095e-01	1.8855030988509334e+01
-6.9295771489195779e-01	1.8856346791180162e+01
-6.9099816910638534e-01	1.8803024814828817e+01
-6.8997237978555814e-01	1.8775111655407219e+01
-2.1196370472037387e-01	5.7678283067731630e+00
-2.4311138823535741e-01	6.6154002573820518e+00
-6.0355581862793817e-01	1.6423596388789001e+01
-6.0355581862806040e-01	1.6423596388792330e+01
-6.4467362246896842e-01	1.7542469231757597e+01
-7.5610037427593779e-01	2.0574546700170757e+01
+7.5360628562083129e-02	2.0506679066117548e+00
+6.9287220698058305e-01	1.8854020001542612e+01
+6.9287220698057750e-01	1.8854020001542459e+01
+6.9314985795349449e-01	1.8861575272116287e+01
+6.9028764642341500e-01	1.8783690500735531e+01
+6.8994928867395522e-01	1.8774483314025311e+01
+2.1202140024261817e-01	5.7693982824763790e+00
+2.4283946374398946e-01	6.6080008123653400e+00
+6.0350742927314394e-01	1.6422279646893511e+01
+6.0350742927330381e-01	1.6422279646897863e+01
+6.4498868732620107e-01	1.7551042586353439e+01
+7.5610285478687722e-01	2.0574614198336214e+01

tests/integrate/207_NO_KP_OXC/result.ref

@@ -1,9 +1,9 @@
-etotref -212.6300856413655
-etotperatomref -106.3150428207
+etotref -212.6220609473505
+etotperatomref -106.3110304737
 CompareVXC_pass 0
 CompareOrbXC_pass 0
 CompareOrbKinetic_pass 0
 CompareOrbVL_pass 0
 CompareOrbVNL_pass 0
 CompareOrbVHartree_pass 0
-totaltimeref 22.06
+totaltimeref 13.12

tests/integrate/207_NO_KP_OXC/vhartree_out.ref

@@ -1,15 +1,15 @@
 2
 1
 6
-1.4113685655409342e-01	3.8405308938886313e+00
-2.5168586236213109e-01	6.8487236683374446e+00
-2.5168586236216250e-01	6.8487236683382990e+00
-2.3818785304408960e-01	6.4814239915725276e+00
-9.6061104054610796e-02	2.6139567426272201e+00
-1.0497474887605052e-01	2.8565094616667657e+00
-1.8354710156875595e-01	4.9945728654396397e+00
-1.0537573740554317e-01	2.8674209193342479e+00
-2.1880380947272768e-01	5.9539571058709440e+00
-2.1880380947281258e-01	5.9539571058732541e+00
-9.8617011618821054e-02	2.6835065554963409e+00
-9.3894268939185510e-02	2.5549941342346769e+00
+1.4112466165742804e-01	3.8401990537262907e+00
+2.5163564025411278e-01	6.8473570546682039e+00
+2.5163564025411655e-01	6.8473570546683060e+00
+2.3821003729805079e-01	6.4820276560920300e+00
+9.6583832464817498e-02	2.6281809123978053e+00
+1.0492875802915166e-01	2.8552579865194256e+00
+1.8356635884948339e-01	4.9950968829313966e+00
+1.0498309602344302e-01	2.8567365991999334e+00
+2.1873498376172118e-01	5.9520842621937646e+00
+2.1873498376183687e-01	5.9520842621969123e+00
+9.8983158673885074e-02	2.6934699280059218e+00
+9.3899408260331163e-02	2.5551339823375425e+00

tests/integrate/207_NO_KP_OXC/vpp_local_out.ref

@@ -1,15 +1,15 @@
 2
 1
 6
--3.0098788292896494e-01	-8.1903004735817060e+00
--4.6431550238352493e-01	-1.2634673004297040e+01
--4.6431550238366942e-01	-1.2634673004300973e+01
--4.6265884371492372e-01	-1.2589593009228901e+01
--2.5904047415029896e-01	-7.0488529221315490e+00
--2.5489046490776013e-01	-6.9359253772291645e+00
--3.9897177020111796e-01	-1.0856578831763620e+01
--1.9304303478937274e-01	-5.2529704646953981e+00
--3.9905222628974663e-01	-1.0858768154251907e+01
--3.9905222629003950e-01	-1.0858768154259876e+01
--2.9572559706291357e-01	-8.0471063290153779e+00
--2.2291264124345445e-01	-6.0657641542815712e+00
+-3.0101836258858156e-01	-8.1911298676694777e+00
+-4.6425055402880600e-01	-1.2632905668897235e+01
+-4.6425055402883653e-01	-1.2632905668898067e+01
+-4.6307169914994006e-01	-1.2600827381961883e+01
+-2.6013937714472535e-01	-7.0787556066784711e+00
+-2.5486302990834309e-01	-6.9351788325957680e+00
+-3.9905184265146898e-01	-1.0858757714918813e+01
+-1.9159273894286299e-01	-5.2135058900988662e+00
+-3.9895346713212027e-01	-1.0856080779705110e+01
+-3.9895346713250973e-01	-1.0856080779715708e+01
+-2.9660581100861438e-01	-8.0710581792565659e+00
+-2.2304717215673603e-01	-6.0694249282371180e+00

tests/integrate/207_NO_KP_OXC/vpp_nonlocal_out.ref

@@ -1,15 +1,15 @@
 2
 1
 6
-2.8613596948111919e-01	7.7861591753946486e+00
-2.2849804473444624e-01	6.2177507804947316e+00
-2.2849804473451799e-01	6.2177507804966838e+00
-2.2695283203968664e-01	6.1757033859534012e+00
-1.9157221661016460e-01	5.2129474487769665e+00
-1.8886548044839890e-01	5.1392933792116402e+00
-3.1324706939237390e-01	8.5238900510753659e+00
-2.1372431018924415e-01	5.8157368393863580e+00
-2.2455517390069851e-01	6.1104597608607722e+00
-2.2455517390081420e-01	6.1104597608639200e+00
-2.3364137951596947e-01	6.3577080999953335e+00
-1.3061189823674019e-01	3.5541320852316391e+00
+2.8613536205720358e-01	7.7861426465419417e+00
+2.2848104040381553e-01	6.2172880689202241e+00
+2.2848104040385026e-01	6.2172880689211691e+00
+2.2710998981794001e-01	6.1799798684919338e+00
+1.9348330177195094e-01	5.2649507439040590e+00
+1.8886683703805932e-01	5.1393302939100991e+00
+3.1324386694132939e-01	8.5238029079118220e+00
+2.1271941813565287e-01	5.7883923237788322e+00
+2.2452501763844440e-01	6.1096391668666952e+00
+2.2452501763860333e-01	6.1096391668710206e+00
+2.3398759639736544e-01	6.3671291446568841e+00
+1.3072279135213710e-01	3.5571496417083783e+00

tests/integrate/207_NO_KP_OXC/vxc_out.ref

@@ -1,15 +1,15 @@
 2
 1
 6
--5.1230914735474076e-01	-1.3940647083092204e+01
--5.4586414912548942e-01	-1.4853725524056747e+01
--5.4586414912542969e-01	-1.4853725524055122e+01
--5.2184281554508472e-01	-1.4200071503552257e+01
--3.3292737504158443e-01	-9.0594186414970697e+00
--3.3960159355658315e-01	-9.2410334444992319e+00
--5.1961448164761326e-01	-1.4139435427447937e+01
--4.8245729881713090e-01	-1.3128336611203281e+01
--5.3216848113640292e-01	-1.4481047278921190e+01
--5.3216848113629889e-01	-1.4481047278918359e+01
--3.2724521859846717e-01	-8.9047992323894558e+00
--3.2569397421272883e-01	-8.8625877071163526e+00
+-5.1241966263460559e-01	-1.3943654358136657e+01
+-5.4586098339243305e-01	-1.4853639380040919e+01
+-5.4586098339241196e-01	-1.4853639380040345e+01
+-5.2166040137040381e-01	-1.4195107759209002e+01
+-3.3409473287713004e-01	-9.0911840778338053e+00
+-3.3961143930774479e-01	-9.2413013611330097e+00
+-5.1972127113784583e-01	-1.4142341318555294e+01
+-4.8163310485213451e-01	-1.3105909142840954e+01
+-5.3220647068527449e-01	-1.4482081027579396e+01
+-5.3220647068497240e-01	-1.4482081027571175e+01
+-3.2734347697981392e-01	-8.9074729801146013e+00
+-3.2574503984024938e-01	-8.8639772741288034e+00

tests/integrate/281_NO_KP_HSE/result.ref

@@ -1,5 +1,5 @@
-etotref -205.1553398987854848
-etotperatomref -102.5776699494
-totalforceref 6.064356
-totalstressref 4166.698320
-totaltimeref 29.87
+etotref -205.1574474096462097
+etotperatomref -102.5787237048
+totalforceref 6.063234
+totalstressref 2214.189951
+totaltimeref 17.99

tests/integrate/282_NO_KP_HSE_complex/result.ref

@@ -1,3 +1,3 @@
-etotref -205.1553391476762
-etotperatomref -102.5776695738
-totaltimeref 23.07
+etotref -205.1574466357155
+etotperatomref -102.5787233179
+totaltimeref 13.48

tests/integrate/283_NO_KP_HF/result.ref

@@ -1,3 +1,3 @@
-etotref -188.6759597956508
-etotperatomref -94.3379798978
-totaltimeref 25.89
+etotref -188.6748141469456
+etotperatomref -94.3374070735
+totaltimeref 15.18

tests/integrate/284_NO_KP_PBE0/result.ref

@@ -1,3 +1,3 @@
-etotref -201.2903112985926
-etotperatomref -100.6451556493
-totaltimeref 25.99
+etotref -201.2902197126152
+etotperatomref -100.6451098563
+totaltimeref 15.11

tests/integrate/285_NO_KP_RE_HSE/result.ref

@@ -1,3 +1,3 @@
-etotref -200.8932068051380
-etotperatomref -100.4466034026
-totaltimeref 34.92
+etotref -200.8969758707964
+etotperatomref -100.4484879354
+totaltimeref 19.17

tests/integrate/286_NO_KP_CR_HSE/result.ref

@@ -1,3 +1,3 @@
-etotref -192.6607044544250869
-etotperatomref -96.3303522272
-totaltimeref 33.73
+etotref -196.7590796477498429
+etotperatomref -98.3795398239
+totaltimeref 25.24