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add tests for pair style colloid in variants in several neighbor list and comm variants 

this does 3 tests:
- regular neighborlist binning with single cutoff communication
- comm style brick with multi-cutoff neighborlists and communication
- comm style tiled with multi-cutoff neighborlists and communication
This commit is contained in:
Axel Kohlmeyer 2020-08-03 16:16:56 -04:00
parent 6dcd962718
commit 851a22802e
No known key found for this signature in database
GPG Key ID: D9B44E93BF0C375A
5 changed files with 344 additions and 0 deletions
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85
unittest/force-styles/tests/atomic-pair-colloid.yaml Normal file
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@ -0,0 +1,85 @@
---
lammps_version: 21 Jul 2020
date_generated: Mon Aug 3 16:06:24 202
epsilon: 5e-14
prerequisites: ! |
pair colloid
pre_commands: ! |
variable units index lj
post_commands: ! |
neighbor 1.0 bin
comm_style brick
comm_modify mode single
input_file: in.colloid
pair_style: colloid 12.5
pair_coeff: ! |
1 1 1.0 1.0 5.0 5.0 12.5
1 2 5.0 1.0 5.0 0.0 7.0
2 2 10.0 1.0 0.0 0.0 2.5
extract: ! ""
natoms: 27
init_vdwl: -0.250265293649414
init_coul: 0
init_stress: ! |2-
1.6693554149342897e+00 1.1752557173260264e+01 1.0084916384631697e+00 -5.5164068587184527e+00 3.4448938909043297e-01 2.8524984331506240e+00
init_forces: ! |2
1 7.2698902368314028e-02 7.6228314794484830e-02 1.0726717051410481e-01
2 -4.1487528743785314e-02 -9.8021436494101673e-03 1.5709289685835706e-01
3 -6.4514052467860251e-03 -1.0256365723614392e-03 -6.5497018575823654e-04
4 -1.5879716299045554e-02 -1.3313626328419375e-02 -1.1960220488237115e-02
5 -3.6475105049685382e-02 -2.2992583864092243e-02 1.6166097759476125e-02
6 5.4769180740248721e-04 -2.4426732691233789e-02 -3.6444902428178980e-02
7 1.2006858444817004e-03 8.6089326153587114e-04 4.8033026817420977e-05
8 6.2576206692511894e-03 1.1942031910109577e-03 8.5598267089392085e-04
9 1.8304752931477772e+00 -4.3380838069003760e+00 -1.2763141904695217e+00
10 1.0456768773213965e-01 -2.8797785965171453e-02 -1.0768387599117879e-02
11 7.4457152913473112e-04 5.3043528596594623e-05 1.1848179655097060e-04
12 1.8275344545112628e-04 4.1948901318387846e-04 9.8529270880004928e-05
13 -1.1259391902077470e-01 1.6396787556459839e-02 -9.0455786475091124e-04
14 -2.4411189619188785e-04 -5.8284002050384879e-05 1.8046434825690733e-05
15 -2.9421019290851403e-03 -7.4831176382853144e-04 -1.2326238660052020e-03
16 2.2461127490925330e+00 -1.1352527056039741e+00 2.3679980564815390e+00
17 -1.8842133286566962e-02 1.7091738246445273e-02 -1.4247568288438442e-02
18 1.0304762560041125e-01 7.8062023784307467e-03 1.9257495383127633e-02
19 -4.3351162132476757e-02 -2.2995928402219718e-02 -1.1392806036292676e-02
20 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
21 4.2501672350519291e-02 6.8582908647593869e-03 -6.8677246013076093e-02
22 -2.2945818607502835e+00 1.1603382884260454e+00 -2.3594708301087310e+00
23 2.5606115583434265e-02 -1.0270997331622232e-01 -1.1451933998746673e-01
24 -8.0648597970214809e-04 1.1943689027481706e-04 -9.8441554909815322e-04
25 6.1663239781204479e-04 -2.9236784591333024e-04 3.5387752678593650e-03
26 -1.7197958284241512e+00 4.3707144027711022e+00 1.2977194913045051e+00
27 -1.4110864281012736e-01 4.2418795982941855e-02 -6.2606997884263993e-02
run_vdwl: 0.0367090517931739
run_coul: 0
run_stress: ! |2-
3.2547164843322682e+00 1.2822272288053410e+01 2.9381904014809601e+00 -6.5755478139675869e+00 2.3052669923975402e+00 1.5140903126232870e+00
run_forces: ! |2
1 5.8196197291626200e-02 7.7034242946349835e-02 1.0456829776646272e-01
2 -4.1552988555246327e-02 -1.1540194679885485e-02 1.5467509805429100e-01
3 -6.6558201800471870e-03 -9.8090417095619679e-04 -4.5870088099424396e-04
4 -1.6184658518487705e-02 -1.2048418808706472e-02 -1.2190156970179262e-02
5 -3.3316803862839403e-02 -2.1131495092834619e-02 1.4963198384123102e-02
6 4.7038346343352116e-04 -3.0307837184768524e-02 -4.3608938525025766e-02
7 1.0396652127649081e-03 7.5317021954246196e-04 4.1930480907776011e-05
8 6.4423457305213877e-03 1.1468835414812518e-03 6.8526191116136061e-04
9 1.7585178109228492e+00 -4.3823551563819683e+00 -1.2468505588145766e+00
10 1.3392700382201897e-01 -2.9471624976996433e-02 -9.0915578208389906e-03
11 7.9839096035526878e-04 6.5881060273477888e-05 1.3840230606223551e-04
12 1.8540711169000120e-04 3.9935505493718929e-04 1.2187452986589205e-04
13 -1.4075050026169886e-01 1.8204883476184704e-02 -2.0674384501958810e-03
14 -2.4452271394244688e-04 -5.7393635529214755e-05 1.6908863929994165e-05
15 -3.4577717467029730e-03 -9.3350658134032588e-04 -1.5696623820874889e-03
16 5.4762334392971725e+00 -3.3427628201841180e+00 5.8008787111000641e+00
17 -1.7123087875076635e-02 1.5861563712562771e-02 -1.3049347364948664e-02
18 1.1434938302418582e-01 8.6112942994291432e-03 2.0292892978926169e-02
19 -3.8092989065812294e-02 -1.9963855292591683e-02 -9.8568020007968223e-03
20 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
21 4.1446743356056415e-02 8.4986882092498734e-03 -7.1565549648589480e-02
22 -5.5269240273286284e+00 3.3665609275390551e+00 -5.7932229791606380e+00
23 1.5450935830291834e-02 -1.0557581147017484e-01 -1.1539704280712981e-01
24 -7.5222270706101302e-04 1.1318969997713211e-04 -9.2841932954143037e-04
25 1.1778375109233723e-03 -7.1254208855309762e-05 3.8035457799329405e-03
26 -1.6497221843622811e+00 4.4233264004281976e+00 1.2763820593322663e+00
27 -1.3345796635606474e-01 3.6623792481486360e-02 -5.6711027332452278e-02
...

85
unittest/force-styles/tests/atomic-pair-colloid_multi.yaml Normal file
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@ -0,0 +1,85 @@
---
lammps_version: 21 Jul 2020
date_generated: Mon Aug 3 16:06:24 202
epsilon: 5e-14
prerequisites: ! |
pair colloid
pre_commands: ! |
variable units index lj
post_commands: ! |
neighbor 1.0 multi
comm_style brick
comm_modify mode multi
input_file: in.colloid
pair_style: colloid 12.5
pair_coeff: ! |
1 1 1.0 1.0 5.0 5.0 12.5
1 2 5.0 1.0 5.0 0.0 7.0
2 2 10.0 1.0 0.0 0.0 2.5
extract: ! ""
natoms: 27
init_vdwl: -0.250265293649414
init_coul: 0
init_stress: ! |2-
1.6693554149342913e+00 1.1752557173260270e+01 1.0084916384631617e+00 -5.5164068587184527e+00 3.4448938909043431e-01 2.8524984331506258e+00
init_forces: ! |2
1 7.2698902368314056e-02 7.6228314794484775e-02 1.0726717051410484e-01
2 -4.1487528743785314e-02 -9.8021436494101673e-03 1.5709289685835706e-01
3 -6.4514052467860251e-03 -1.0256365723614392e-03 -6.5497018575823654e-04
4 -1.5879716299045554e-02 -1.3313626328419375e-02 -1.1960220488237115e-02
5 -3.6475105049685402e-02 -2.2992583864092257e-02 1.6166097759476136e-02
6 5.4769180740248721e-04 -2.4426732691233789e-02 -3.6444902428178980e-02
7 1.2006858444817004e-03 8.6089326153587114e-04 4.8033026817420977e-05
8 6.2576206692511894e-03 1.1942031910109577e-03 8.5598267089392085e-04
9 1.8304752931477772e+00 -4.3380838069003760e+00 -1.2763141904695217e+00
10 1.0456768773213965e-01 -2.8797785965171453e-02 -1.0768387599117879e-02
11 7.4457152913473112e-04 5.3043528596594623e-05 1.1848179655097060e-04
12 1.8275344545112628e-04 4.1948901318387846e-04 9.8529270880004928e-05
13 -1.1259391902077470e-01 1.6396787556459839e-02 -9.0455786475091124e-04
14 -2.4411189619188785e-04 -5.8284002050384879e-05 1.8046434825690733e-05
15 -2.9421019290851403e-03 -7.4831176382853144e-04 -1.2326238660052020e-03
16 2.2461127490925330e+00 -1.1352527056039741e+00 2.3679980564815386e+00
17 -1.8842133286566962e-02 1.7091738246445273e-02 -1.4247568288438442e-02
18 1.0304762560041125e-01 7.8062023784307467e-03 1.9257495383127633e-02
19 -4.3351162132476757e-02 -2.2995928402219718e-02 -1.1392806036292676e-02
20 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
21 4.2501672350519284e-02 6.8582908647593938e-03 -6.8677246013076107e-02
22 -2.2945818607502839e+00 1.1603382884260454e+00 -2.3594708301087310e+00
23 2.5606115583434265e-02 -1.0270997331622232e-01 -1.1451933998746673e-01
24 -8.0648597970214809e-04 1.1943689027481706e-04 -9.8441554909815322e-04
25 6.1663239781204458e-04 -2.9236784591333030e-04 3.5387752678593654e-03
26 -1.7197958284241512e+00 4.3707144027711022e+00 1.2977194913045054e+00
27 -1.4110864281012736e-01 4.2418795982941855e-02 -6.2606997884263993e-02
run_vdwl: 0.0367090517931737
run_coul: 0
run_stress: ! |2-
3.2547164843322691e+00 1.2822272288053391e+01 2.9381904014809663e+00 -6.5755478139675931e+00 2.3052669923975411e+00 1.5140903126232879e+00
run_forces: ! |2
1 5.8196197291625715e-02 7.7034242946349946e-02 1.0456829776646254e-01
2 -4.1552988555246327e-02 -1.1540194679885485e-02 1.5467509805429100e-01
3 -6.6558201800471870e-03 -9.8090417095619679e-04 -4.5870088099424396e-04
4 -1.6184658518487705e-02 -1.2048418808706472e-02 -1.2190156970179262e-02
5 -3.3316803862839438e-02 -2.1131495092834646e-02 1.4963198384123119e-02
6 4.7038346343352116e-04 -3.0307837184768524e-02 -4.3608938525025766e-02
7 1.0396652127649081e-03 7.5317021954246196e-04 4.1930480907776011e-05
8 6.4423457305213877e-03 1.1468835414812518e-03 6.8526191116136061e-04
9 1.7585178109228492e+00 -4.3823551563819700e+00 -1.2468505588145766e+00
10 1.3392700382201897e-01 -2.9471624976996433e-02 -9.0915578208389906e-03
11 7.9839096035526857e-04 6.5881060273478105e-05 1.3840230606223543e-04
12 1.8540711169000120e-04 3.9935505493718929e-04 1.2187452986589205e-04
13 -1.4075050026169886e-01 1.8204883476184704e-02 -2.0674384501958810e-03
14 -2.4452271394244688e-04 -5.7393635529214755e-05 1.6908863929994165e-05
15 -3.4577717467029726e-03 -9.3350658134032599e-04 -1.5696623820874889e-03
16 5.4762334392971725e+00 -3.3427628201841184e+00 5.8008787111000641e+00
17 -1.7123087875076635e-02 1.5861563712562771e-02 -1.3049347364948664e-02
18 1.1434938302418582e-01 8.6112942994291432e-03 2.0292892978926169e-02
19 -3.8092989065812294e-02 -1.9963855292591683e-02 -9.8568020007968223e-03
20 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
21 4.1446743356056415e-02 8.4986882092498717e-03 -7.1565549648589466e-02
22 -5.5269240273286284e+00 3.3665609275390551e+00 -5.7932229791606371e+00
23 1.5450935830291834e-02 -1.0557581147017484e-01 -1.1539704280712981e-01
24 -7.5222270706101302e-04 1.1318969997713211e-04 -9.2841932954143037e-04
25 1.1778375109233736e-03 -7.1254208855308434e-05 3.8035457799329383e-03
26 -1.6497221843622811e+00 4.4233264004281976e+00 1.2763820593322663e+00
27 -1.3345796635606427e-01 3.6623792481486235e-02 -5.6711027332452084e-02
...

85
unittest/force-styles/tests/atomic-pair-colloid_tiled.yaml Normal file
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@ -0,0 +1,85 @@
---
lammps_version: 21 Jul 2020
date_generated: Mon Aug 3 16:06:24 202
epsilon: 5e-14
prerequisites: ! |
pair colloid
pre_commands: ! |
variable units index lj
post_commands: ! |
neighbor 1.0 multi
comm_style tiled
comm_modify mode multi
input_file: in.colloid
pair_style: colloid 12.5
pair_coeff: ! |
1 1 1.0 1.0 5.0 5.0 12.5
1 2 5.0 1.0 5.0 0.0 7.0
2 2 10.0 1.0 0.0 0.0 2.5
extract: ! ""
natoms: 27
init_vdwl: -0.250265293649414
init_coul: 0
init_stress: ! |2-
1.6693554149342913e+00 1.1752557173260270e+01 1.0084916384631617e+00 -5.5164068587184527e+00 3.4448938909043431e-01 2.8524984331506258e+00
init_forces: ! |2
1 7.2698902368314056e-02 7.6228314794484775e-02 1.0726717051410484e-01
2 -4.1487528743785314e-02 -9.8021436494101673e-03 1.5709289685835706e-01
3 -6.4514052467860251e-03 -1.0256365723614392e-03 -6.5497018575823654e-04
4 -1.5879716299045554e-02 -1.3313626328419375e-02 -1.1960220488237115e-02
5 -3.6475105049685402e-02 -2.2992583864092257e-02 1.6166097759476136e-02
6 5.4769180740248721e-04 -2.4426732691233789e-02 -3.6444902428178980e-02
7 1.2006858444817004e-03 8.6089326153587114e-04 4.8033026817420977e-05
8 6.2576206692511894e-03 1.1942031910109577e-03 8.5598267089392085e-04
9 1.8304752931477772e+00 -4.3380838069003760e+00 -1.2763141904695217e+00
10 1.0456768773213965e-01 -2.8797785965171453e-02 -1.0768387599117879e-02
11 7.4457152913473112e-04 5.3043528596594623e-05 1.1848179655097060e-04
12 1.8275344545112628e-04 4.1948901318387846e-04 9.8529270880004928e-05
13 -1.1259391902077470e-01 1.6396787556459839e-02 -9.0455786475091124e-04
14 -2.4411189619188785e-04 -5.8284002050384879e-05 1.8046434825690733e-05
15 -2.9421019290851403e-03 -7.4831176382853144e-04 -1.2326238660052020e-03
16 2.2461127490925330e+00 -1.1352527056039741e+00 2.3679980564815386e+00
17 -1.8842133286566962e-02 1.7091738246445273e-02 -1.4247568288438442e-02
18 1.0304762560041125e-01 7.8062023784307467e-03 1.9257495383127633e-02
19 -4.3351162132476757e-02 -2.2995928402219718e-02 -1.1392806036292676e-02
20 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
21 4.2501672350519284e-02 6.8582908647593938e-03 -6.8677246013076107e-02
22 -2.2945818607502839e+00 1.1603382884260454e+00 -2.3594708301087310e+00
23 2.5606115583434265e-02 -1.0270997331622232e-01 -1.1451933998746673e-01
24 -8.0648597970214809e-04 1.1943689027481706e-04 -9.8441554909815322e-04
25 6.1663239781204458e-04 -2.9236784591333030e-04 3.5387752678593654e-03
26 -1.7197958284241512e+00 4.3707144027711022e+00 1.2977194913045054e+00
27 -1.4110864281012736e-01 4.2418795982941855e-02 -6.2606997884263993e-02
run_vdwl: 0.0367090517931737
run_coul: 0
run_stress: ! |2-
3.2547164843322691e+00 1.2822272288053391e+01 2.9381904014809663e+00 -6.5755478139675931e+00 2.3052669923975411e+00 1.5140903126232879e+00
run_forces: ! |2
1 5.8196197291625715e-02 7.7034242946349946e-02 1.0456829776646254e-01
2 -4.1552988555246327e-02 -1.1540194679885485e-02 1.5467509805429100e-01
3 -6.6558201800471870e-03 -9.8090417095619679e-04 -4.5870088099424396e-04
4 -1.6184658518487705e-02 -1.2048418808706472e-02 -1.2190156970179262e-02
5 -3.3316803862839438e-02 -2.1131495092834646e-02 1.4963198384123119e-02
6 4.7038346343352116e-04 -3.0307837184768524e-02 -4.3608938525025766e-02
7 1.0396652127649081e-03 7.5317021954246196e-04 4.1930480907776011e-05
8 6.4423457305213877e-03 1.1468835414812518e-03 6.8526191116136061e-04
9 1.7585178109228492e+00 -4.3823551563819700e+00 -1.2468505588145766e+00
10 1.3392700382201897e-01 -2.9471624976996433e-02 -9.0915578208389906e-03
11 7.9839096035526857e-04 6.5881060273478105e-05 1.3840230606223543e-04
12 1.8540711169000120e-04 3.9935505493718929e-04 1.2187452986589205e-04
13 -1.4075050026169886e-01 1.8204883476184704e-02 -2.0674384501958810e-03
14 -2.4452271394244688e-04 -5.7393635529214755e-05 1.6908863929994165e-05
15 -3.4577717467029726e-03 -9.3350658134032599e-04 -1.5696623820874889e-03
16 5.4762334392971725e+00 -3.3427628201841184e+00 5.8008787111000641e+00
17 -1.7123087875076635e-02 1.5861563712562771e-02 -1.3049347364948664e-02
18 1.1434938302418582e-01 8.6112942994291432e-03 2.0292892978926169e-02
19 -3.8092989065812294e-02 -1.9963855292591683e-02 -9.8568020007968223e-03
20 0.0000000000000000e+00 0.0000000000000000e+00 0.0000000000000000e+00
21 4.1446743356056415e-02 8.4986882092498717e-03 -7.1565549648589466e-02
22 -5.5269240273286284e+00 3.3665609275390551e+00 -5.7932229791606371e+00
23 1.5450935830291834e-02 -1.0557581147017484e-01 -1.1539704280712981e-01
24 -7.5222270706101302e-04 1.1318969997713211e-04 -9.2841932954143037e-04
25 1.1778375109233736e-03 -7.1254208855308434e-05 3.8035457799329383e-03
26 -1.6497221843622811e+00 4.4233264004281976e+00 1.2763820593322663e+00
27 -1.3345796635606427e-01 3.6623792481486235e-02 -5.6711027332452084e-02
...

73
unittest/force-styles/tests/data.colloid Normal file
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@ -0,0 +1,73 @@
LAMMPS data file via write_data, version 21 Jul 2020, timestep = 5000
27 atoms
2 atom types
-0.2436910920596036 13.743691092059596 xlo xhi
-0.2436910920596036 13.743691092059596 ylo yhi
-0.2436910920596036 13.743691092059596 zlo zhi
Masses
1 9
2 1
Atoms # atomic
21 1 8.218284363111994 3.8616496369708644 3.926644621675435 0 0 1
14 2 3.971804908882051 12.196374430867266 11.800922980362827 1 -1 2
4 2 12.749633950530594 0.2895775102974337 13.665118030342807 1 0 -4
6 2 10.48479135210438 0.7314009568199128 0.20579559916130968 0 0 -1
11 2 6.370393143436297 0.7506711988180665 11.228922122628624 -1 1 0
16 2 1.781613249220567 9.315352564201742 13.003045928765761 1 -1 -1
15 2 2.5907208520939946 7.092392808241224 9.564419981414446 -2 0 -1
10 2 2.06473035593474 10.936583460926354 0.2143993310674837 1 -2 2
17 2 10.89572436719935 1.4615862891785334 5.9966656418333475 -3 -2 0
12 2 8.989180695332816 13.155343018320753 7.380136516456334 3 -2 -1
23 2 9.679726091492721 5.587125576488552 0.5505405659916122 0 1 -1
26 2 10.150200745369286 13.451068779020826 13.1305422632724 0 0 -2
27 2 0.5854518735680864 3.3706426419449973 13.20338885987352 3 3 -4
2 2 12.401535589626157 4.499183730038622 8.453939258351905 0 -2 0
9 1 11.284839488845652 10.602811415241838 12.294336783300636 0 0 -1
7 2 3.67365214779975 0.6031426192504774 3.744838163244472 -1 0 -3
25 2 0.580286149741973 6.5570299426679615 8.204514419385035 2 -1 1
5 2 0.4370415403230168 12.62671878288036 10.900794906743482 -3 1 -2
20 2 0.5960686789505689 -0.03029382390167784 6.650651587937794 1 -1 -2
3 2 2.4025882097830804 3.537273393359948 6.539574857512142 -1 1 -1
8 2 0.2515454304433808 3.209093417679412 6.394794043739663 1 1 0
24 2 0.8855320855058237 10.07143392738017 2.6866421503905222 0 0 0
22 2 1.1569993715184617 9.633923152653242 12.34752906065215 -2 0 2
1 1 11.516625939770336 4.289372112043943 11.847412277845446 -1 -1 -1
13 2 3.4573289217000625 10.709357504995712 0.2070680620433607 -3 1 2
18 2 8.388010639142333 4.8343459387085295 0.022914514686456666 0 2 2
19 2 0.8904095150489832 6.178968410953466 12.739150191807628 -2 -2 1
Velocities
21 0.5108629151801364 0.5071783225038178 0.038121513505701005
14 0.04442371287433498 -0.9592694013198345 1.2892900869531516
4 -0.2178346847645286 0.6098857389317441 -0.11034167964068448
6 -0.1576695048262709 -1.2130499080058224 -1.532174167207837
11 2.8099374837612547 -0.04484558137222933 -2.949735057364872
16 -2.514269472184712 0.8600214136555172 -1.334072825855178
15 -1.9716757999689132 0.34144027670649985 -1.289546613298351
10 1.593221282752536 -1.4854596141900234 -0.5931052285995597
17 0.30576221579017154 -1.7264461829362503 0.9151292837107401
12 1.856996336103833 1.2171769820936116 0.7446116107611583
23 0.6826664104612703 -1.2226601048696837 -0.575337461330738
26 2.060350188652742 1.4611540801166607 -1.2802524060106233
27 0.249900902388907 2.388571043902052 -1.8492601452320174
2 0.2605802271656383 0.7180097106986123 0.23261242169201765
9 -0.34764522027409256 0.3030477382656852 -0.27629534212658624
7 -2.269133408440061 -3.1960327319813473 -0.148176086091223
25 1.1175412259994884 -0.5507974421930979 1.1903914944413345
5 0.20657924357863497 1.6144987892387104 -1.4640329026812684
20 0.0590579871685183 -0.24749314593051103 -1.104019292812069
3 -0.5186327771760407 0.5748836420503801 -1.1735732476681855
8 -0.4437666044968981 1.7357347488421837 1.9514880021657892
24 -0.28726920313585036 -0.13725286038541634 2.2362521378373943
22 0.07031578857583798 2.4612824702440497 1.159670483206302
1 -0.6115443594925424 -1.3770574953178165 0.6488398210995187
13 -1.7087317711505776 1.2667666619290276 0.6879911689583401
18 1.023336469072999 1.4409480361581861 0.7015199009707059
19 1.783253733076145 -0.8055837104480024 0.5986765907881554

16
unittest/force-styles/tests/in.colloid Normal file
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@ -0,0 +1,16 @@
variable newton_pair index on
variable newton_bond index on
variable units index lj
variable input_dir index .
variable data_file index ${input_dir}/data.colloid
variable pair_style index 'zero 8.0'
atom_style atomic
atom_modify map array
neigh_modify delay 2 every 2 check no
timestep 0.01
units ${units}
newton ${newton_pair} ${newton_bond}
pair_style ${pair_style}
read_data ${data_file}