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add unit tests for scafacos kspace solver (skipping p3m)

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Axel Kohlmeyer
2021-07-29 13:57:02 -04:00
parent 2a1177fa92
commit 43b3c97cc0
5 changed files with 878 additions and 0 deletions
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175
unittest/force-styles/tests/kspace-scafacos_direct.yaml Normal file
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---
lammps_version: 28 Jul 2021
date_generated: Thu Jul 29 13:45:54 2021
epsilon: 7.5e-14
skip_tests: extract gpu intel omp opt single
prerequisites: ! |
atom full
pair zero
kspace scafacos
pre_commands: ! |
echo screen
variable newton_pair delete
variable newton_pair index on
atom_modify map array
units metal
atom_style charge
lattice diamond 3.77
region box block 0 2 0 2 0 2
create_box 2 box
create_atoms 1 box
displace_atoms all random 0.1 0.1 0.1 623426
mass 1 28.0
mass 2 16.0
set type 1 type/fraction 2 0.666667 998877
set type 1 charge 0.8
set type 2 charge 0.4
velocity all create 100 4534624 loop geom
post_commands: ! |
pair_modify compute no
kspace_style scafacos direct 1.0e-6
input_file: in.empty
pair_style: zero 2.0
pair_coeff: ! |
* *
extract: ! ""
natoms: 64
init_vdwl: 0
init_coul: 0
init_stress: ! |2-
0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
init_forces: ! |2
1 5.9853519421758639e-01 1.3735181867021682e+00 1.3553118398123448e+01
2 1.5495977417051812e+01 4.0901064482224800e+00 3.9689142760273075e+00
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run_vdwl: 0
run_coul: 0
run_stress: ! |2-
0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
run_forces: ! |2
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...

175
unittest/force-styles/tests/kspace-scafacos_ewald.yaml Normal file
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@ -0,0 +1,175 @@
---
lammps_version: 28 Jul 2021
date_generated: Thu Jul 29 13:45:55 2021
epsilon: 7.5e-14
skip_tests: extract gpu intel omp opt single
prerequisites: ! |
atom full
pair zero
kspace scafacos
pre_commands: ! |
echo screen
variable newton_pair delete
variable newton_pair index on
atom_modify map array
units metal
atom_style charge
lattice diamond 3.77
region box block 0 2 0 2 0 2
create_box 2 box
create_atoms 1 box
displace_atoms all random 0.1 0.1 0.1 623426
mass 1 28.0
mass 2 16.0
set type 1 type/fraction 2 0.666667 998877
set type 1 charge 0.8
set type 2 charge 0.4
velocity all create 100 4534624 loop geom
post_commands: ! |
pair_modify compute no
kspace_style scafacos ewald 1.0e-6
input_file: in.empty
pair_style: zero 2.0
pair_coeff: ! |
* *
extract: ! ""
natoms: 64
init_vdwl: 0
init_coul: 0
init_stress: ! |2-
0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
init_forces: ! |2
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run_vdwl: 0
run_coul: 0
run_stress: ! |2-
0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
run_forces: ! |2
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64 -2.0776194241579457e-01 -1.6779892537766616e-01 2.9221070734089666e-01
...

176
unittest/force-styles/tests/kspace-scafacos_fmm.yaml Normal file
View File

@ -0,0 +1,176 @@
---
lammps_version: 28 Jul 2021
date_generated: Thu Jul 29 13:51:18 2021
epsilon: 7.5e-14
skip_tests: extract gpu intel omp opt single
prerequisites: ! |
atom full
pair zero
kspace scafacos
pre_commands: ! |
echo screen
variable newton_pair delete
variable newton_pair index on
atom_modify map array
units metal
atom_style charge
lattice diamond 3.77
region box block 0 2 0 2 0 2
create_box 2 box
create_atoms 1 box
displace_atoms all random 0.1 0.1 0.1 623426
mass 1 28.0
mass 2 16.0
set type 1 type/fraction 2 0.666667 998877
set type 1 charge 0.8
set type 2 charge 0.4
velocity all create 100 4534624 loop geom
post_commands: ! |
pair_modify compute no
kspace_style scafacos fmm 1.0e-6
kspace_modify scafacos tolerance energy
input_file: in.empty
pair_style: zero 2.0
pair_coeff: ! |
* *
extract: ! ""
natoms: 64
init_vdwl: 0
init_coul: 0
init_stress: ! |2-
0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
init_forces: ! |2
1 2.7344321564545199e-01 1.0399389340459080e+00 1.3876659205276564e+01
2 1.5449492805477314e+01 3.9807611230601410e+00 3.8452246197298656e+00
3 3.7922326387058978e+00 8.3278630398292453e-01 3.4558724384105806e+00
4 2.9439011885186255e+00 2.9425289669765928e+00 1.4537825698476643e+01
5 1.5918381870117293e+00 1.9466983955760999e+00 2.4920283819610658e+00
6 2.6259105850931714e+00 5.3690549282090387e+00 4.7280710550656844e+00
7 4.4364137899372924e+00 1.8830119807345869e+00 4.3927142420671821e+00
8 8.9994986945653537e+00 1.0319345073350034e+01 3.1325097793340606e+00
9 6.2639497792534637e+00 3.5466245249326556e-01 4.4168044703814741e-01
10 1.3728949086169523e+01 5.9021795755719113e+00 8.3457486071450901e+00
11 2.1935277755276061e+01 2.7869562552965171e+01 8.7269231486518812e+00
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63 2.4039569847433405e+01 1.8842330744592978e+01 2.5780922573255157e+01
64 1.2463187447287556e+01 1.2183741551363838e+01 8.7353181028151692e+00
run_vdwl: 0
run_coul: 0
run_stress: ! |2-
0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
run_forces: ! |2
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2 1.5449759395644167e+01 3.9855855054817644e+00 3.8461983571873790e+00
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52 7.4419899358623356e+00 2.1356769669062444e+01 1.2684434373290401e+01
53 -3.8607658405206186e-01 1.2157465333393549e+01 5.2631428549295682e+00
54 1.6360271583187511e+00 2.5806448449298628e+01 2.2923307834686828e+01
55 1.1390250487781625e+01 1.9609063402086711e+01 2.4725021107985334e+01
56 4.2381343760165091e+00 1.0395725713994882e+01 9.4450980706100012e+00
57 8.1922339516941101e+00 7.1086378058488044e+00 6.6012158192831887e+00
58 7.4214030094107608e+00 1.0605483796243540e+01 9.2605304646178155e+00
59 9.8444881364839958e+00 7.4248108566067454e+00 9.9426307778310061e+00
60 1.0702238644489983e+01 9.6979949572741546e+00 6.9618733394800447e+00
61 8.6978096405466658e+00 9.9105244542061097e+00 8.7648658602181566e+00
62 1.7748711620965818e+01 2.5580453958857554e+01 2.5482823034836599e+01
63 2.4039899519931453e+01 1.8846637147914485e+01 2.5778055934319141e+01
64 1.2463078463241402e+01 1.2184586889655829e+01 8.7354368948584202e+00
...

177
unittest/force-styles/tests/kspace-scafacos_fmm_tuned.yaml Normal file
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@ -0,0 +1,177 @@
---
lammps_version: 28 Jul 2021
date_generated: Thu Jul 29 13:50:59 2021
epsilon: 7.5e-14
skip_tests: extract gpu intel omp opt single
prerequisites: ! |
atom full
pair zero
kspace scafacos
pre_commands: ! |
echo screen
variable newton_pair delete
variable newton_pair index on
atom_modify map array
units metal
atom_style charge
lattice diamond 3.77
region box block 0 2 0 2 0 2
create_box 2 box
create_atoms 1 box
displace_atoms all random 0.1 0.1 0.1 623426
mass 1 28.0
mass 2 16.0
set type 1 type/fraction 2 0.666667 998877
set type 1 charge 0.8
set type 2 charge 0.4
velocity all create 100 4534624 loop geom
post_commands: ! |
pair_modify compute no
kspace_style scafacos fmm 1.0e-6
kspace_modify scafacos tolerance energy_rel
kspace_modify scafacos fmm_tuning 1
input_file: in.empty
pair_style: zero 2.0
pair_coeff: ! |
* *
extract: ! ""
natoms: 64
init_vdwl: 0
init_coul: 0
init_stress: ! |2-
0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
init_forces: ! |2
1 2.7348813331578381e-01 1.0398337508932620e+00 1.3876159757936122e+01
2 1.5449500445625777e+01 3.9807925711395882e+00 3.8451554469155158e+00
3 3.7922392638729674e+00 8.3276903399611857e-01 3.4558923758723239e+00
4 2.9438818801998288e+00 2.9425326004887702e+00 1.4537787108189372e+01
5 1.5917206214898922e+00 1.9466982917982683e+00 2.4919869295950248e+00
6 2.6259075371703107e+00 5.3690587559849874e+00 4.7280760809090063e+00
7 4.4364253542789553e+00 1.8829999380617202e+00 4.3927130682638200e+00
8 8.9995014275062033e+00 1.0319344496761227e+01 3.1326023537694150e+00
9 6.2638175569366439e+00 3.5476316668194763e-01 4.4166040431977632e-01
10 1.3728953726809353e+01 5.9021860546627147e+00 8.3457830077413675e+00
11 2.1935169943515557e+01 2.7869616573716833e+01 8.7269888071726189e+00
12 2.6501474360021167e+01 9.2945619739867102e-01 2.9893788084785779e+01
13 8.0018212209254269e+00 -2.0476829653122275e-01 1.8886468465456818e+00
14 8.2751943329581028e+00 6.4950216944197710e+00 6.1408909216811107e+00
15 2.5492590440688410e+01 4.5129690225059003e+00 1.1790361371298170e+01
16 1.4548053703176246e+01 4.4129859630113533e+00 1.8762729984357014e+00
17 1.4501911070441551e+01 6.7171318111851042e+00 1.4946375871215359e+01
18 1.4380223720786740e+01 1.0657290731886400e+01 3.0305611923330629e+00
19 2.7117054831254972e+00 6.0958452763802571e+00 3.5888843335705802e+00
20 6.8588609322722185e+00 2.1685247490849857e+01 3.0689061298679143e+00
21 1.3970943275510144e+00 7.6485816765308989e+00 2.7541768792668018e+00
22 6.4448316569476405e-01 1.3543545509046767e+01 4.2755852447120430e+00
23 5.4068708057498780e+00 8.7086355398483786e+00 5.0428988259149952e+00
24 5.4312833896029256e+00 1.2571294549302225e+01 2.7852213701107713e+00
25 8.1530954705085517e+00 6.3515410254013185e+00 1.3439303825948702e+01
26 5.7966900211547721e+00 1.1833237493134883e+01 5.3217633843164807e+00
27 2.3267888779838575e+01 1.4309269348619916e+01 7.8963242010371877e+00
28 1.1260947273678511e+01 1.0982376414198882e+01 5.4781815763630859e-01
29 1.8364371291956008e+01 1.8114567435533047e+01 4.7963836742107802e+00
30 8.4699088067619392e+00 1.1831148231360789e+01 6.1292915173424580e+00
31 1.3574908849755397e+01 8.7336218936043508e+00 4.8188371166218111e+00
32 1.3385387163964113e+01 1.2337118159363795e+01 -1.1407524184510009e+00
33 1.4431168712277392e+01 1.4323208687692121e+01 7.3414504006410386e+00
34 1.3969041828620703e+01 3.0496943860655836e+00 1.1438260036991002e+01
35 2.8274003881940502e+00 1.3310589799922836e+01 1.0934862963723306e+01
36 4.1227887871968436e+00 5.0496895120609047e+00 5.0760680028349290e+00
37 1.0778839329208072e+00 1.7887023254017091e+00 1.9429711913612689e+01
38 2.1507942905958108e+00 5.0163776336856483e+00 1.3059976489761368e+01
39 4.7184683151918598e+00 1.8254262730434008e+00 1.2785388468062990e+01
40 1.0914703578871686e+01 1.0718511584407898e+01 1.6788195605985212e+01
41 1.3586528046198101e+01 -1.5240408132233365e+00 1.1745234629327168e+01
42 6.9398937131136336e+00 4.7619476312053433e+00 1.2768071613391614e+01
43 1.1588227900962954e+01 1.3899375234447838e+01 9.7231426518202095e+00
44 1.0965233207481576e+01 4.5248581872753171e+00 7.3388192421583183e+00
45 2.0005981603238130e+01 4.2227511758916396e+00 1.6223915605052568e+01
46 1.5526027660178757e+01 1.6284925837425668e+01 2.0992424515018055e+01
47 1.3127360638599988e+01 5.9612362528876883e-01 1.1818654631355532e+01
48 1.1751986404039938e+01 4.2624387920065523e+00 9.3936834836215191e+00
49 -1.8088745899087394e-01 1.3484430039477767e+01 1.2968484808313010e+01
50 1.3977286184112062e+01 1.1069454884631591e+01 9.1718660232339886e+00
51 1.0501587646222809e+01 1.2924465595968570e+01 2.4635324740606578e+01
52 7.4312485865974578e+00 2.1362396858961155e+01 1.2684502423254669e+01
53 -3.9424068307842736e-01 1.2140657200136484e+01 5.2721812571653501e+00
54 1.6485961493725905e+00 2.5799336851785167e+01 2.2930957175651425e+01
55 1.1381721034165544e+01 1.9619406419408808e+01 2.4718628489144805e+01
56 4.2371998207450279e+00 1.0391058816708153e+01 9.4444200256590882e+00
57 8.1940124415452154e+00 7.1104964926316265e+00 6.6029660024819821e+00
58 7.4171992229434318e+00 1.0606471694757657e+01 9.2591404855050907e+00
59 9.8492150170007964e+00 7.4248614672958269e+00 9.9383803157301998e+00
60 1.0703943615781606e+01 9.6975161414304889e+00 6.9600326393690422e+00
61 8.6943592534555965e+00 9.9063199807746116e+00 8.7603057701106710e+00
62 1.7747508836217346e+01 2.5570847046642644e+01 2.5486626980773114e+01
63 2.4039557027481166e+01 1.8842345704546617e+01 2.5780849026032008e+01
64 1.2463226569826761e+01 1.2183760586283075e+01 8.7353269230481754e+00
run_vdwl: 0
run_coul: 0
run_stress: ! |2-
0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
run_forces: ! |2
1 2.7655614077038770e-01 1.0414626143997929e+00 1.3872281044882385e+01
2 1.5449766942760903e+01 3.9856168870747379e+00 3.8461293438372790e+00
3 3.7912065186298132e+00 8.3902947798816940e-01 3.4596964702210671e+00
4 2.9451602238760008e+00 2.9429370858672668e+00 1.4539866735118618e+01
5 1.5927561638347016e+00 1.9493352486036057e+00 2.4923532256852292e+00
6 2.6287536719745823e+00 5.3687758985279252e+00 4.7294812963949129e+00
7 4.4371843565440887e+00 1.8848910506914887e+00 4.3950121035880807e+00
8 8.9995646852940840e+00 1.0323825531388316e+01 3.1393397431003773e+00
9 6.2660457365220648e+00 3.5679472756364977e-01 4.4140788476336190e-01
10 1.3727327649282635e+01 5.9063449929569556e+00 8.3518552034510591e+00
11 2.1926372209609372e+01 2.7870240309194713e+01 8.7321979226291049e+00
12 2.6499900558225651e+01 9.6334889661224665e-01 2.9894782842760570e+01
13 8.0083579713387767e+00 -2.0659652450187993e-01 1.8836657841036355e+00
14 8.2734306616064099e+00 6.4943534748345870e+00 6.1412727378626544e+00
15 2.5488024372384881e+01 4.5213844941317838e+00 1.1799167617793602e+01
16 1.4552542699098790e+01 4.4186495472922793e+00 1.8852661034736871e+00
17 1.4503737595959898e+01 6.7179050792379611e+00 1.4946776837792390e+01
18 1.4381409435231228e+01 1.0654894302462434e+01 3.0312767493334012e+00
19 2.7124860711088656e+00 6.0976621976484635e+00 3.5882560105608561e+00
20 6.8736710874219931e+00 2.1678434988867846e+01 3.0787890906385686e+00
21 1.3982367460894576e+00 7.6478102680775519e+00 2.7552928293027943e+00
22 6.4169326306508845e-01 1.3545339589741861e+01 4.2776645822412247e+00
23 5.4103248493900837e+00 8.7067978227779843e+00 5.0443836366850539e+00
24 5.4297907842916224e+00 1.2566207486059163e+01 2.7871769607932020e+00
25 8.1468730822611093e+00 6.3628993051274767e+00 1.3433125255649120e+01
26 5.8007799584797075e+00 1.1833072017157374e+01 5.3158402827220064e+00
27 2.3271926144411747e+01 1.4312477430258067e+01 7.8987789997376181e+00
28 1.1264976472326568e+01 1.0981045834527897e+01 5.5114366602934151e-01
29 1.8360480179925911e+01 1.8116213711345623e+01 4.8005074793206548e+00
30 8.4676851576636274e+00 1.1833621876668358e+01 6.1285512025545916e+00
31 1.3576042847021148e+01 8.7326462658984134e+00 4.8222921579271674e+00
32 1.3392837978387369e+01 1.2328138924567323e+01 -1.1499093150899995e+00
33 1.4430596032798116e+01 1.4322526693890415e+01 7.3431281073933219e+00
34 1.3968759042112440e+01 3.0501328584960681e+00 1.1437992430217433e+01
35 2.8281380771191573e+00 1.3315782732548923e+01 1.0935617245655472e+01
36 4.1368084680450741e+00 5.0566595585926750e+00 5.0786122099441879e+00
37 1.0703522301098087e+00 1.7823359592203234e+00 1.9434039156473521e+01
38 2.1530780772696327e+00 5.0165748615997767e+00 1.3059879461907968e+01
39 4.7199237473338425e+00 1.8255974081293400e+00 1.2784201000972180e+01
40 1.0921247275304767e+01 1.0721356400594475e+01 1.6787750162718144e+01
41 1.3583671245197891e+01 -1.5320398875481835e+00 1.1746166324691798e+01
42 6.9450264839149582e+00 4.7593338045337736e+00 1.2755290145911962e+01
43 1.1589813961300360e+01 1.3899896007891060e+01 9.7253102896186281e+00
44 1.0961860458506010e+01 4.5225336343607268e+00 7.3400936222246091e+00
45 2.0002840354073204e+01 4.2338732914616370e+00 1.6239521371602699e+01
46 1.5524539285930016e+01 1.6247840060528361e+01 2.0990241708216441e+01
47 1.3124971903636380e+01 5.9785477708513912e-01 1.1818366531227719e+01
48 1.1749153529429060e+01 4.2614879359139017e+00 9.3944902939537496e+00
49 -1.7527515462349436e-01 1.3483232497861167e+01 1.2965147624216133e+01
50 1.3975942039948640e+01 1.1073618153900194e+01 9.1725280413813692e+00
51 1.0503395570218585e+01 1.2909691804831095e+01 2.4643378857208571e+01
52 7.4419945907157885e+00 2.1356736284156529e+01 1.2684453946465149e+01
53 -3.8608341815151459e-01 1.2157472041148559e+01 5.2631401097631194e+00
54 1.6359505523220670e+00 2.5806455026771221e+01 2.2923327128942180e+01
55 1.1390256585246158e+01 1.9609065799837822e+01 2.4725078576748771e+01
56 4.2381284706319988e+00 1.0395671908445410e+01 9.4451124007703342e+00
57 8.1922350329752511e+00 7.1086374466494924e+00 6.6012176987006228e+00
58 7.4214035215815111e+00 1.0605469307739222e+01 9.2605338196606368e+00
59 9.8444802995072678e+00 7.4248103039388100e+00 9.9426320787676286e+00
60 1.0702251275564446e+01 9.6980021484872179e+00 6.9618763522862226e+00
61 8.6978120433876391e+00 9.9105234066795997e+00 8.7648671872123618e+00
62 1.7748715084812812e+01 2.5580419195546956e+01 2.5482804840636767e+01
63 2.4039886899787696e+01 1.8846652126082969e+01 2.5777982490636418e+01
64 1.2463117502673011e+01 1.2184605937034160e+01 8.7354457321354815e+00
...

175
unittest/force-styles/tests/kspace-scafacos_p2nfft.yaml Normal file
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@ -0,0 +1,175 @@
---
lammps_version: 28 Jul 2021
date_generated: Thu Jul 29 13:45:55 2021
epsilon: 7.5e-14
skip_tests: extract gpu intel omp opt single
prerequisites: ! |
atom full
pair zero
kspace scafacos
pre_commands: ! |
echo screen
variable newton_pair delete
variable newton_pair index on
atom_modify map array
units metal
atom_style charge
lattice diamond 3.77
region box block 0 2 0 2 0 2
create_box 2 box
create_atoms 1 box
displace_atoms all random 0.1 0.1 0.1 623426
mass 1 28.0
mass 2 16.0
set type 1 type/fraction 2 0.666667 998877
set type 1 charge 0.8
set type 2 charge 0.4
velocity all create 100 4534624 loop geom
post_commands: ! |
pair_modify compute no
kspace_style scafacos p2nfft 1.0e-6
input_file: in.empty
pair_style: zero 2.0
pair_coeff: ! |
* *
extract: ! ""
natoms: 64
init_vdwl: 0
init_coul: 0
init_stress: ! |2-
0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
init_forces: ! |2
1 -3.5780085265127770e-01 7.7863976884689778e-01 8.1309435467640190e-02
2 1.2922844907752580e+00 1.2617353620515021e-01 -1.6455823742639325e-01
3 -3.7573025528065984e-01 4.8404099820901941e-01 5.0527564662430480e-01
4 -2.7871835080748381e-01 -4.8533790320940795e-01 5.2971652145288373e-01
5 -1.0334757758043411e-01 5.0146818454848385e-01 7.4439669266606512e-01
6 1.6994100006738755e-01 -4.8596028890184417e-01 -1.1155467819435494e+00
7 -6.1361226431521321e-01 1.7596436024569542e-01 -1.0492912504155925e+00
8 -2.2803855631628340e+00 -8.3759709226825729e-01 5.9297120974572937e-01
9 -2.0766700827147561e-01 2.3210985744108728e-01 -9.9414887901143056e-03
10 -1.6345268803939015e+00 -1.3881009194911340e+00 1.9432492599696523e+00
11 -7.3365718913973699e-01 4.9495192619582723e-01 1.5364153798840783e+00
12 5.5588866694584471e+00 -6.1330805899451262e+00 2.0415867813193076e+00
13 -9.5437646198899539e-01 -2.4883734666800250e+00 7.6111758657297612e-01
14 -3.8894783660145515e-01 8.5479214904251943e-01 9.6045059763897767e-01
15 1.2422769989298912e+00 1.1218121119058631e+00 8.1111530135350296e-01
16 2.1400030020232768e+00 -2.4964129257045650e-01 2.9334364533542473e-01
17 3.4605493199199827e-01 -1.6245457119545237e-01 8.3791339271169252e-01
18 5.3921802475361413e-01 -3.6306588338753015e-01 -1.3643801942048081e-01
19 -8.8564486509567664e-01 -5.1280311157875569e-01 3.4189452371378615e-01
20 9.0199869755368822e-01 -1.5438594886161169e-01 2.5018807235162450e+00
21 -8.4306432770331152e-01 -1.1086122791050077e+00 1.0670112041584534e+00
22 -7.5370542273115437e-01 1.2324093767050341e+00 -1.2900469723801509e+00
23 6.4694997778696761e-01 5.8326863628016111e-02 9.9042262644465875e-02
24 4.1807597395619162e-01 2.1970422875787554e-01 9.0175261706012111e-01
25 9.5070421618820644e-01 -7.1000907447189987e-01 -2.2522424240825395e-01
26 -1.4190122120224835e+00 1.1872197340350161e+00 1.8777069287446524e+00
27 1.0876171833808459e+00 1.2659568409984263e+00 1.0887050534686826e+00
28 8.3074879582524142e-01 -2.9903248606562183e-01 1.9688028219637457e-01
29 9.1446004698611993e-01 -7.3648908061130480e-01 4.8971588398224725e-01
30 -1.0806496963048899e+00 -5.6194899575245605e-01 6.4737904874501273e-01
31 4.0748872588326579e-01 1.5931983570425615e-01 1.1007904844298623e-01
32 1.5183422906765025e+00 -6.5520492347733528e-01 -2.9884551390565299e+00
33 3.4940717708684493e-01 2.4331903350211614e-01 1.8192795361205777e-01
34 -1.8506798197394539e-01 -8.5855506937629600e-01 1.5453618644299572e-01
35 -8.2315610861914990e-01 -3.7842441602683485e-01 7.4320784531703932e-01
36 1.1078345676821617e+00 1.9365206211001422e+00 -2.6462863074877290e+00
37 -3.0179819419253957e+00 -1.9903934289919694e+00 1.7770878311570411e+00
38 1.5762694264847721e-01 -3.1528290994028468e-01 6.6060440331789860e-01
39 -2.3668961472223182e-01 1.3758070564376421e-01 1.0038071017732935e+00
40 -2.6354974417212534e-01 3.2895859882109753e-02 -5.6623994456379567e-01
41 1.1795033887687183e-01 -1.6780278035635190e+00 -3.8149014900721743e+00
42 -6.8070892131582916e-01 1.6485351522884506e+00 2.5129752962183050e+00
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