diff --git a/examples/ellipse/log.ellipse.22Jan08.linux.1 b/examples/ellipse/log.gayberne.22Jan08.linux.1
similarity index 85%
rename from examples/ellipse/log.ellipse.22Jan08.linux.1
rename to examples/ellipse/log.gayberne.22Jan08.linux.1
index fc18371ef7..09da4fee4b 100644
--- a/examples/ellipse/log.ellipse.22Jan08.linux.1
+++ b/examples/ellipse/log.gayberne.22Jan08.linux.1
@@ -1,5 +1,5 @@
LAMMPS (22 Jan 2008)
-# Ellipsoids in LJ background fluid
+# GayBerne ellipsoids in LJ background fluid
units lj
atom_style ellipsoid
@@ -32,6 +32,11 @@ pair_coeff 1 1 3.0 1.0 1 1 1 1 1 1 2.5
pair_coeff 1 2 3.0 1.0 1 1 1 0 0 0
pair_coeff 2 2 1.0 1.0 1 1 0.2 0 0 0
+#pair_style resquared 4.0
+#pair_coeff 1 1 3.0 1 1 1 1 1 1 1 2.5
+#pair_coeff 1 2 3.0 1 1 1 1 0 0 0
+#pair_coeff 2 2 1.0 1 1 1 0.2 0 0 0
+
neighbor 0.8 bin
thermo_style custom step c_rot epair etotal press vol
@@ -39,7 +44,9 @@ thermo 100
timestep 0.002
-dump 1 all custom 100 dump.ellipse tag type x y z quatw quati quatj quatk
+dump 1 all custom 100 dump.gayberne tag type x y z quatw quati quatj quatk
+
+#dump 1 all custom 100 dump.resquared # tag type x y z quatw quati quatj quatk
fix 1 all npt/asphere 2.0 2.0 0.1 xyz 0.0 1.0 1.0
fix 2 all enforce2d
@@ -70,13 +77,13 @@ Step rot E_pair TotEng Press Volume
1800 2.0251982 -2.9795387 -0.83247158 0.52149705 1215.081
1900 2.0206629 -3.159343 -1.0374344 0.72829367 1196.1151
2000 1.9665091 -3.2421939 -1.2158182 0.66817261 1162.3788
-Loop time of 1.24727 on 1 procs for 2000 steps with 400 atoms
+Loop time of 1.24429 on 1 procs for 2000 steps with 400 atoms
-Pair time (%) = 0.9127 (73.1756)
-Neigh time (%) = 0.0137322 (1.10098)
-Comm time (%) = 0.0217996 (1.74778)
-Outpt time (%) = 0.0341289 (2.73628)
-Other time (%) = 0.264913 (21.2394)
+Pair time (%) = 0.909927 (73.1284)
+Neigh time (%) = 0.0135996 (1.09297)
+Comm time (%) = 0.0220442 (1.77163)
+Outpt time (%) = 0.0341184 (2.74201)
+Other time (%) = 0.264597 (21.2649)
Nlocal: 400 ave 400 max 400 min
Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -119,13 +126,13 @@ Step rot E_pair TotEng Press Volume
3800 1.9107307 -3.1825901 -1.2150398 0.76019944 1162.3788
3900 2.0003232 -3.2826031 -1.2144381 0.69551187 1162.3788
4000 1.9971268 -3.2783688 -1.2104061 0.67606395 1162.3788
-Loop time of 1.42325 on 1 procs for 2000 steps with 400 atoms
+Loop time of 1.41674 on 1 procs for 2000 steps with 400 atoms
-Pair time (%) = 1.13466 (79.7228)
-Neigh time (%) = 0.0079174 (0.55629)
-Comm time (%) = 0.0247726 (1.74057)
-Outpt time (%) = 0.0347703 (2.44301)
-Other time (%) = 0.221135 (15.5373)
+Pair time (%) = 1.12906 (79.6942)
+Neigh time (%) = 0.00786209 (0.554944)
+Comm time (%) = 0.0250032 (1.76484)
+Outpt time (%) = 0.0342295 (2.41608)
+Other time (%) = 0.220585 (15.5699)
Nlocal: 400 ave 400 max 400 min
Histogram: 1 0 0 0 0 0 0 0 0 0
@@ -138,4 +145,3 @@ Total # of neighbors = 2941
Ave neighs/atom = 7.3525
Neighbor list builds = 46
Dangerous builds = 0
-
diff --git a/examples/ellipse/log.ellipse.22Jan08.linux.4 b/examples/ellipse/log.gayberne.22Jan08.linux.4
similarity index 85%
rename from examples/ellipse/log.ellipse.22Jan08.linux.4
rename to examples/ellipse/log.gayberne.22Jan08.linux.4
index 23d3378b88..0f6d742fe1 100644
--- a/examples/ellipse/log.ellipse.22Jan08.linux.4
+++ b/examples/ellipse/log.gayberne.22Jan08.linux.4
@@ -1,5 +1,5 @@
LAMMPS (22 Jan 2008)
-# Ellipsoids in LJ background fluid
+# GayBerne ellipsoids in LJ background fluid
units lj
atom_style ellipsoid
@@ -32,6 +32,11 @@ pair_coeff 1 1 3.0 1.0 1 1 1 1 1 1 2.5
pair_coeff 1 2 3.0 1.0 1 1 1 0 0 0
pair_coeff 2 2 1.0 1.0 1 1 0.2 0 0 0
+#pair_style resquared 4.0
+#pair_coeff 1 1 3.0 1 1 1 1 1 1 1 2.5
+#pair_coeff 1 2 3.0 1 1 1 1 0 0 0
+#pair_coeff 2 2 1.0 1 1 1 0.2 0 0 0
+
neighbor 0.8 bin
thermo_style custom step c_rot epair etotal press vol
@@ -39,7 +44,9 @@ thermo 100
timestep 0.002
-dump 1 all custom 100 dump.ellipse tag type x y z quatw quati quatj quatk
+dump 1 all custom 100 dump.gayberne tag type x y z quatw quati quatj quatk
+
+#dump 1 all custom 100 dump.resquared # tag type x y z quatw quati quatj quatk
fix 1 all npt/asphere 2.0 2.0 0.1 xyz 0.0 1.0 1.0
fix 2 all enforce2d
@@ -70,13 +77,13 @@ Step rot E_pair TotEng Press Volume
1800 2.0251982 -2.9795387 -0.83247158 0.52149705 1215.081
1900 2.0206629 -3.159343 -1.0374344 0.72829366 1196.1151
2000 1.9665091 -3.2421939 -1.2158181 0.66817261 1162.3788
-Loop time of 1.48207 on 4 procs for 2000 steps with 400 atoms
+Loop time of 1.46444 on 4 procs for 2000 steps with 400 atoms
-Pair time (%) = 0.262188 (17.6907)
-Neigh time (%) = 0.00443518 (0.299256)
-Comm time (%) = 0.704064 (47.5055)
-Outpt time (%) = 0.0561122 (3.78607)
-Other time (%) = 0.45527 (30.7185)
+Pair time (%) = 0.262376 (17.9165)
+Neigh time (%) = 0.00438559 (0.299471)
+Comm time (%) = 0.695195 (47.4716)
+Outpt time (%) = 0.0550858 (3.76155)
+Other time (%) = 0.447401 (30.5509)
Nlocal: 100 ave 114 max 89 min
Histogram: 1 0 0 1 1 0 0 0 0 1
@@ -119,13 +126,13 @@ Step rot E_pair TotEng Press Volume
3800 1.9125088 -3.1825738 -1.2078829 0.58850208 1162.3788
3900 1.9607643 -3.2375105 -1.2043099 0.50399343 1162.3788
4000 1.9199974 -3.1924774 -1.1937016 1.0992901 1162.3788
-Loop time of 1.30075 on 4 procs for 2000 steps with 400 atoms
+Loop time of 1.30653 on 4 procs for 2000 steps with 400 atoms
-Pair time (%) = 0.334192 (25.6922)
-Neigh time (%) = 0.00251496 (0.193347)
-Comm time (%) = 0.706741 (54.3333)
-Outpt time (%) = 0.0571193 (4.39126)
-Other time (%) = 0.200183 (15.3898)
+Pair time (%) = 0.327121 (25.0374)
+Neigh time (%) = 0.00245857 (0.188176)
+Comm time (%) = 0.719629 (55.0794)
+Outpt time (%) = 0.0561987 (4.30137)
+Other time (%) = 0.201123 (15.3937)
Nlocal: 100 ave 112 max 86 min
Histogram: 1 0 1 0 0 0 0 0 1 1
@@ -138,4 +145,3 @@ Total # of neighbors = 2962
Ave neighs/atom = 7.405
Neighbor list builds = 46
Dangerous builds = 0
-
diff --git a/examples/ellipse/log.resquared.22Jan08.linux.1 b/examples/ellipse/log.resquared.22Jan08.linux.1
new file mode 100644
index 0000000000..b71d262fdd
--- /dev/null
+++ b/examples/ellipse/log.resquared.22Jan08.linux.1
@@ -0,0 +1,147 @@
+LAMMPS (22 Jan 2008)
+# RESquared ellipsoids in LJ background fluid
+
+units lj
+atom_style ellipsoid
+dimension 2
+
+lattice sq 0.02
+Lattice spacing in x,y,z = 7.07107 7.07107 7.07107
+region box block 0 20 0 20 -0.5 0.5
+create_box 2 box
+Created orthogonal box = (0 0 -3.53553) to (141.421 141.421 3.53553)
+ 1 by 1 by 1 processor grid
+create_atoms 1 box
+Created 400 atoms
+
+set group all type/fraction 2 0.1 95392
+ 45 settings made for type/fraction
+set group all quat/random 18238
+ 400 settings made for quat/random
+
+mass 1 1.0
+mass 2 1.5
+shape 1 1 1 1
+shape 2 3 1 1
+
+compute rot all temp/asphere
+velocity all create 2.4 87287 loop geom
+
+#pair_style gayberne 1.0 3.0 1.0 4.0
+#pair_coeff 1 1 3.0 1.0 1 1 1 1 1 1 2.5
+#pair_coeff 1 2 3.0 1.0 1 1 1 0 0 0
+#pair_coeff 2 2 1.0 1.0 1 1 0.2 0 0 0
+
+pair_style resquared 4.0
+pair_coeff 1 1 3.0 1 1 1 1 1 1 1 2.5
+pair_coeff 1 2 3.0 1 1 1 1 0 0 0
+pair_coeff 2 2 1.0 1 1 1 0.2 0 0 0
+
+neighbor 0.8 bin
+
+thermo_style custom step c_rot epair etotal press vol
+thermo 100
+
+timestep 0.002
+
+#dump 1 all custom 100 dump.gayberne # tag type x y z quatw quati quatj quatk
+
+dump 1 all custom 100 dump.resquared tag type x y z quatw quati quatj quatk
+
+fix 1 all npt/asphere 2.0 2.0 0.1 xyz 0.0 1.0 1.0
+fix 2 all enforce2d
+
+# equilibrate to shrink box around dilute system
+
+run 2000
+Memory usage per processor = 2.5914 Mbytes
+Step rot E_pair TotEng Press Volume
+ 0 2.1564825 0 2.391 0.04782 20000
+ 100 1.838411 0 2.0383382 0.039613219 20582.404
+ 200 2.1840926 0 2.4216127 0.046586295 20792.49
+ 300 1.9277991 0 2.1374472 0.045558261 18766.715
+ 400 2.1319531 -2.8942919e-05 2.363774 0.067309702 14046.61
+ 500 2.0159993 0.025003198 2.192142 0.12365516 8758.5309
+ 600 2.0502951 0.082711121 2.1869989 0.2914997 4953.8346
+ 700 2.1346857 0.19349894 2.4259271 0.83641851 2850.8843
+ 800 1.7500542 0.31713085 2.1311843 1.7957167 1886.6112
+ 900 1.7954476 0.2020433 2.0534119 1.5200892 1555.0105
+ 1000 1.9617502 0.11559302 2.1882642 1.2192863 1547.216
+ 1100 2.029642 0.11732822 2.28763 1.0329822 1776.5022
+ 1200 1.932547 0.055745664 2.0771327 0.56592224 2220.4328
+ 1300 2.1273555 0.022049267 2.2406619 0.39671812 2776.2006
+ 1400 1.9348031 0.041576451 2.0680195 0.34763372 3284.7889
+ 1500 2.145937 0.05819306 2.2958826 0.39414678 3503.5721
+ 1600 1.925752 0.13306059 2.1690861 0.54488654 3303.1224
+ 1700 2.1312499 0.14010948 2.3616269 0.69736084 2818.368
+ 1800 1.9625036 0.1767238 2.2308375 0.96298372 2310.965
+ 1900 1.9411448 0.23022702 2.301414 1.3620231 1895.482
+ 2000 1.989287 0.23799274 2.3113674 1.6330055 1665.9849
+Loop time of 2.25316 on 1 procs for 2000 steps with 400 atoms
+
+Pair time (%) = 1.93077 (85.6918)
+Neigh time (%) = 0.0138793 (0.615992)
+Comm time (%) = 0.0163372 (0.725077)
+Outpt time (%) = 0.0341411 (1.51525)
+Other time (%) = 0.258029 (11.4518)
+
+Nlocal: 400 ave 400 max 400 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost: 208 ave 208 max 208 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs: 1896 ave 1896 max 1896 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 1896
+Ave neighs/atom = 4.74
+Neighbor list builds = 152
+Dangerous builds = 77
+
+# run dynamics on dense system
+
+unfix 1
+fix 1 all nve/asphere
+
+run 2000
+Memory usage per processor = 2.5924 Mbytes
+Step rot E_pair TotEng Press Volume
+ 2000 1.989287 0.23799274 2.3113674 1.6330055 1665.9849
+ 2100 2.0653748 0.15379429 2.3138055 1.2692328 1665.9849
+ 2200 2.0296751 0.19333047 2.3431266 1.4194185 1665.9849
+ 2300 2.031445 0.19134884 2.3346008 1.4455022 1665.9849
+ 2400 2.0416873 0.17998527 2.3055585 1.3819478 1665.9849
+ 2500 1.9732771 0.25585123 2.3498283 1.7058898 1665.9849
+ 2600 2.0186547 0.2054707 2.2994266 1.5413429 1665.9849
+ 2700 2.0300352 0.19285781 2.2682949 1.384344 1665.9849
+ 2800 2.0258032 0.1974685 2.3003298 1.4218564 1665.9849
+ 2900 2.0506397 0.16996513 2.3131175 1.3967849 1665.9849
+ 3000 1.9768248 0.251823 2.3267822 1.6698709 1665.9849
+ 3100 2.0005064 0.22563045 2.2868834 1.540767 1665.9849
+ 3200 2.0309162 0.19193638 2.3082578 1.4597896 1665.9849
+ 3300 2.0483286 0.17251967 2.3200717 1.3676295 1665.9849
+ 3400 2.0019218 0.22424333 2.3467104 1.6024582 1665.9849
+ 3500 2.0060182 0.21959616 2.3235298 1.582482 1665.9849
+ 3600 2.0000757 0.22586393 2.3411772 1.5632004 1665.9849
+ 3700 2.0293619 0.1936261 2.3426439 1.4262837 1665.9849
+ 3800 2.0256136 0.19784063 2.3112499 1.5090404 1665.9849
+ 3900 2.0554399 0.16475477 2.3129868 1.281966 1665.9849
+ 4000 2.0845029 0.13253315 2.3282445 1.2142775 1665.9849
+Loop time of 4.02238 on 1 procs for 2000 steps with 400 atoms
+
+Pair time (%) = 3.74757 (93.1678)
+Neigh time (%) = 0.00655437 (0.162947)
+Comm time (%) = 0.0214994 (0.534494)
+Outpt time (%) = 0.0341754 (0.849631)
+Other time (%) = 0.212587 (5.2851)
+
+Nlocal: 400 ave 400 max 400 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost: 206 ave 206 max 206 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs: 1869 ave 1869 max 1869 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 1869
+Ave neighs/atom = 4.6725
+Neighbor list builds = 50
+Dangerous builds = 0
diff --git a/examples/ellipse/log.resquared.22Jan08.linux.4 b/examples/ellipse/log.resquared.22Jan08.linux.4
new file mode 100644
index 0000000000..f1be199d0d
--- /dev/null
+++ b/examples/ellipse/log.resquared.22Jan08.linux.4
@@ -0,0 +1,147 @@
+LAMMPS (22 Jan 2008)
+# RESquared ellipsoids in LJ background fluid
+
+units lj
+atom_style ellipsoid
+dimension 2
+
+lattice sq 0.02
+Lattice spacing in x,y,z = 7.07107 7.07107 7.07107
+region box block 0 20 0 20 -0.5 0.5
+create_box 2 box
+Created orthogonal box = (0 0 -3.53553) to (141.421 141.421 3.53553)
+ 2 by 2 by 1 processor grid
+create_atoms 1 box
+Created 400 atoms
+
+set group all type/fraction 2 0.1 95392
+ 45 settings made for type/fraction
+set group all quat/random 18238
+ 400 settings made for quat/random
+
+mass 1 1.0
+mass 2 1.5
+shape 1 1 1 1
+shape 2 3 1 1
+
+compute rot all temp/asphere
+velocity all create 2.4 87287 loop geom
+
+#pair_style gayberne 1.0 3.0 1.0 4.0
+#pair_coeff 1 1 3.0 1.0 1 1 1 1 1 1 2.5
+#pair_coeff 1 2 3.0 1.0 1 1 1 0 0 0
+#pair_coeff 2 2 1.0 1.0 1 1 0.2 0 0 0
+
+pair_style resquared 4.0
+pair_coeff 1 1 3.0 1 1 1 1 1 1 1 2.5
+pair_coeff 1 2 3.0 1 1 1 1 0 0 0
+pair_coeff 2 2 1.0 1 1 1 0.2 0 0 0
+
+neighbor 0.8 bin
+
+thermo_style custom step c_rot epair etotal press vol
+thermo 100
+
+timestep 0.002
+
+#dump 1 all custom 100 dump.gayberne # tag type x y z quatw quati quatj quatk
+
+dump 1 all custom 100 dump.resquared tag type x y z quatw quati quatj quatk
+
+fix 1 all npt/asphere 2.0 2.0 0.1 xyz 0.0 1.0 1.0
+fix 2 all enforce2d
+
+# equilibrate to shrink box around dilute system
+
+run 2000
+Memory usage per processor = 2.55985 Mbytes
+Step rot E_pair TotEng Press Volume
+ 0 2.1564825 0 2.391 0.04782 20000
+ 100 1.838411 0 2.0383382 0.039613219 20582.404
+ 200 2.1840926 0 2.4216127 0.046586295 20792.49
+ 300 1.9277991 0 2.1374472 0.045558261 18766.715
+ 400 2.1319531 -2.8942919e-05 2.363774 0.067309702 14046.61
+ 500 2.0159993 0.025003198 2.192142 0.12365516 8758.5309
+ 600 2.0502951 0.082711121 2.1869989 0.2914997 4953.8346
+ 700 2.1346857 0.19349894 2.4259271 0.83641851 2850.8843
+ 800 1.7500542 0.31713085 2.1311843 1.7957167 1886.6112
+ 900 1.7954476 0.2020433 2.0534119 1.5200892 1555.0105
+ 1000 1.9617502 0.11559302 2.1882642 1.2192863 1547.216
+ 1100 2.029642 0.11732822 2.28763 1.0329822 1776.5022
+ 1200 1.932547 0.055745664 2.0771327 0.56592224 2220.4328
+ 1300 2.1273555 0.022049267 2.2406619 0.39671812 2776.2006
+ 1400 1.9348031 0.041576451 2.0680195 0.34763372 3284.7889
+ 1500 2.145937 0.05819306 2.2958826 0.39414678 3503.5721
+ 1600 1.925752 0.13306059 2.1690861 0.54488654 3303.1224
+ 1700 2.1312499 0.14010948 2.3616269 0.69736084 2818.368
+ 1800 1.9625036 0.1767238 2.2308375 0.96298372 2310.965
+ 1900 1.9411448 0.23022702 2.301414 1.3620231 1895.482
+ 2000 1.989287 0.23799274 2.3113674 1.6330055 1665.9849
+Loop time of 1.70624 on 4 procs for 2000 steps with 400 atoms
+
+Pair time (%) = 0.53287 (31.2306)
+Neigh time (%) = 0.00461602 (0.270537)
+Comm time (%) = 0.702465 (41.1703)
+Outpt time (%) = 0.0564025 (3.30566)
+Other time (%) = 0.40989 (24.0229)
+
+Nlocal: 100 ave 103 max 98 min
+Histogram: 2 0 0 0 0 0 1 0 0 1
+Nghost: 118.25 ave 121 max 114 min
+Histogram: 1 0 0 0 1 0 0 0 0 2
+Neighs: 474 ave 509 max 460 min
+Histogram: 2 1 0 0 0 0 0 0 0 1
+
+Total # of neighbors = 1896
+Ave neighs/atom = 4.74
+Neighbor list builds = 152
+Dangerous builds = 77
+
+# run dynamics on dense system
+
+unfix 1
+fix 1 all nve/asphere
+
+run 2000
+Memory usage per processor = 2.56054 Mbytes
+Step rot E_pair TotEng Press Volume
+ 2000 1.989287 0.23799274 2.3113674 1.6330055 1665.9849
+ 2100 2.0653748 0.15379429 2.3138055 1.2692328 1665.9849
+ 2200 2.0296751 0.19333047 2.3431266 1.4194185 1665.9849
+ 2300 2.031445 0.19134884 2.3346008 1.4455022 1665.9849
+ 2400 2.0416873 0.17998527 2.3055585 1.3819478 1665.9849
+ 2500 1.9732771 0.25585123 2.3498283 1.7058898 1665.9849
+ 2600 2.0186547 0.2054707 2.2994266 1.5413428 1665.9849
+ 2700 2.0300352 0.19285781 2.2682949 1.384344 1665.9849
+ 2800 2.0258032 0.19746848 2.3003298 1.4218563 1665.9849
+ 2900 2.0506396 0.16996525 2.3131178 1.3967855 1665.9849
+ 3000 1.9768248 0.25182299 2.3267824 1.6698709 1665.9849
+ 3100 2.0005068 0.22563005 2.286884 1.5407669 1665.9849
+ 3200 2.0309161 0.19193653 2.3082598 1.4597915 1665.9849
+ 3300 2.0483373 0.1725101 2.3200665 1.3675732 1665.9849
+ 3400 2.0019136 0.22425249 2.3467007 1.6025191 1665.9849
+ 3500 2.0060157 0.21959893 2.3235339 1.5824949 1665.9849
+ 3600 2.0000689 0.22587176 2.3411757 1.5633105 1665.9849
+ 3700 2.0292856 0.19371118 2.342629 1.4266405 1665.9849
+ 3800 2.0255614 0.19789877 2.3112561 1.5093285 1665.9849
+ 3900 2.0554045 0.16479373 2.3130089 1.2821629 1665.9849
+ 4000 2.0844571 0.13258442 2.3284091 1.2146999 1665.9849
+Loop time of 1.94966 on 4 procs for 2000 steps with 400 atoms
+
+Pair time (%) = 1.01464 (52.0418)
+Neigh time (%) = 0.00212574 (0.109032)
+Comm time (%) = 0.695318 (35.6636)
+Outpt time (%) = 0.0557072 (2.85728)
+Other time (%) = 0.181869 (9.32825)
+
+Nlocal: 100 ave 108 max 90 min
+Histogram: 1 0 0 0 0 0 2 0 0 1
+Nghost: 122.25 ave 128 max 114 min
+Histogram: 1 0 0 0 0 0 1 1 0 1
+Neighs: 467.25 ave 524 max 403 min
+Histogram: 1 0 0 0 0 1 1 0 0 1
+
+Total # of neighbors = 1869
+Ave neighs/atom = 4.6725
+Neighbor list builds = 50
+Dangerous builds = 0