diff --git a/examples/USER/eff/Auger-Adamantane/in.adamantane_ionized.nve b/examples/USER/eff/Auger-Adamantane/in.adamantane_ionized.nve index f6ea882b2b..a465ed122f 100644 --- a/examples/USER/eff/Auger-Adamantane/in.adamantane_ionized.nve +++ b/examples/USER/eff/Auger-Adamantane/in.adamantane_ionized.nve @@ -12,7 +12,7 @@ read_data data.${sname} pair_style eff/cut 100.0 pair_coeff * * -communicate single vel yes +comm_modify vel yes compute effTemp all temp/eff diff --git a/examples/USER/eff/Be-solid/in.Be-solid.spe b/examples/USER/eff/Be-solid/in.Be-solid.spe index f62af6816d..967f450982 100644 --- a/examples/USER/eff/Be-solid/in.Be-solid.spe +++ b/examples/USER/eff/Be-solid/in.Be-solid.spe @@ -12,7 +12,7 @@ read_data data.${sname} pair_style eff/cut 31.6125 pair_coeff * * -communicate single vel yes +comm_modify vel yes neigh_modify one 10000 page 100000 diff --git a/examples/USER/eff/CH4/in.ch4.dynamics b/examples/USER/eff/CH4/in.ch4.dynamics index 4d4adf94f3..2a85262796 100644 --- a/examples/USER/eff/CH4/in.ch4.dynamics +++ b/examples/USER/eff/CH4/in.ch4.dynamics @@ -12,7 +12,7 @@ read_data data.${sname} pair_style eff/cut 100.0 pair_coeff * * -communicate single vel yes +comm_modify vel yes # Minimize min_style cg diff --git a/examples/USER/eff/CH4/in.ch4.min b/examples/USER/eff/CH4/in.ch4.min index 9c7fbd96f2..17df27892c 100644 --- a/examples/USER/eff/CH4/in.ch4.min +++ b/examples/USER/eff/CH4/in.ch4.min @@ -12,7 +12,7 @@ read_data data.${sname} pair_style eff/cut 100.0 pair_coeff * * -communicate single vel yes +comm_modify vel yes compute effTemp all temp/eff diff --git a/examples/USER/eff/CH4/in.ch4_ionized.dynamics b/examples/USER/eff/CH4/in.ch4_ionized.dynamics index 647979aa26..762dcd2d0a 100644 --- a/examples/USER/eff/CH4/in.ch4_ionized.dynamics +++ b/examples/USER/eff/CH4/in.ch4_ionized.dynamics @@ -12,7 +12,7 @@ read_data data.${sname} pair_style eff/cut 5000.0 0 0 pair_coeff * * -communicate single vel yes +comm_modify vel yes # minimize min_style cg diff --git a/examples/USER/eff/H/in.h_atom.spe.ang b/examples/USER/eff/H/in.h_atom.spe.ang index e63b8a990d..3d4897461e 100644 --- a/examples/USER/eff/H/in.h_atom.spe.ang +++ b/examples/USER/eff/H/in.h_atom.spe.ang @@ -12,7 +12,7 @@ read_data data.${sname} pair_style eff/cut 0.529177249 pair_coeff * * -communicate single vel yes +comm_modify vel yes compute energies all pair eff/cut variable eke equal c_energies[1] diff --git a/examples/USER/eff/H/in.h_atom.spe.bohr b/examples/USER/eff/H/in.h_atom.spe.bohr index d0c801ff68..2f18ee4e43 100644 --- a/examples/USER/eff/H/in.h_atom.spe.bohr +++ b/examples/USER/eff/H/in.h_atom.spe.bohr @@ -12,7 +12,7 @@ read_data data.${sname} pair_style eff/cut 1.0 pair_coeff * * -communicate single vel yes +comm_modify vel yes compute energies all pair eff/cut variable eke equal c_energies[1] diff --git a/examples/USER/eff/H2/in.h2 b/examples/USER/eff/H2/in.h2 index 87a0b2d3ee..0c42a9c83e 100644 --- a/examples/USER/eff/H2/in.h2 +++ b/examples/USER/eff/H2/in.h2 @@ -12,7 +12,7 @@ read_data data.${sname} pair_style eff/cut 6.447968 pressure/evirials pair_coeff * * -communicate single vel yes +comm_modify vel yes min_style cg min_modify line quadratic diff --git a/examples/USER/eff/H_plasma/in.h2bulk.npt b/examples/USER/eff/H_plasma/in.h2bulk.npt index 30f5ca0910..4e925c2473 100644 --- a/examples/USER/eff/H_plasma/in.h2bulk.npt +++ b/examples/USER/eff/H_plasma/in.h2bulk.npt @@ -14,7 +14,7 @@ pair_coeff * * neigh_modify one 20000 page 200000 -communicate single vel yes +comm_modify vel yes compute effTemp all temp/eff diff --git a/examples/USER/eff/H_plasma/in.h2bulk.nve b/examples/USER/eff/H_plasma/in.h2bulk.nve index 74ce5afbc5..94c2e6ce1d 100644 --- a/examples/USER/eff/H_plasma/in.h2bulk.nve +++ b/examples/USER/eff/H_plasma/in.h2bulk.nve @@ -14,7 +14,7 @@ pair_coeff * * neigh_modify one 10000 page 100000 -communicate single vel yes +comm_modify vel yes compute effTemp all temp/eff diff --git a/examples/USER/eff/H_plasma/in.h2bulk.nve.ang b/examples/USER/eff/H_plasma/in.h2bulk.nve.ang index 8fe1e95eda..d4b952b7a0 100644 --- a/examples/USER/eff/H_plasma/in.h2bulk.nve.ang +++ b/examples/USER/eff/H_plasma/in.h2bulk.nve.ang @@ -14,7 +14,7 @@ pair_coeff * * neigh_modify one 10000 page 100000 -communicate single vel yes +comm_modify vel yes compute peratom all stress/atom NULL compute p all reduce sum c_peratom[1] c_peratom[2] c_peratom[3] diff --git a/examples/USER/eff/Li-dendritic/in.Li-dendritic.min b/examples/USER/eff/Li-dendritic/in.Li-dendritic.min index 9162183208..5411da21a6 100644 --- a/examples/USER/eff/Li-dendritic/in.Li-dendritic.min +++ b/examples/USER/eff/Li-dendritic/in.Li-dendritic.min @@ -13,7 +13,7 @@ read_restart ${sname}.min.restart2 pair_style eff/cut 50.112 pair_coeff * * -communicate single vel yes +comm_modify vel yes compute effTemp all temp/eff diff --git a/examples/USER/eff/Li-dendritic/in.Li-dendritic.nvt b/examples/USER/eff/Li-dendritic/in.Li-dendritic.nvt index 815678f65e..eee8eafe6a 100644 --- a/examples/USER/eff/Li-dendritic/in.Li-dendritic.nvt +++ b/examples/USER/eff/Li-dendritic/in.Li-dendritic.nvt @@ -13,7 +13,7 @@ read_data data.${sname} pair_style eff/cut 50.112 pair_coeff * * -communicate single vel yes +comm_modify vel yes compute effTemp all temp/eff compute effPress all pressure effTemp diff --git a/examples/USER/eff/Li-solid/in.Li.ang b/examples/USER/eff/Li-solid/in.Li.ang index 006786b5f5..44a932000a 100644 --- a/examples/USER/eff/Li-solid/in.Li.ang +++ b/examples/USER/eff/Li-solid/in.Li.ang @@ -14,7 +14,7 @@ read_data data.${sname} pair_style eff/cut 11.049221 limit/eradius pressure/evirials pair_coeff * * -communicate single vel yes +comm_modify vel yes neigh_modify one 2000 page 20000 diff --git a/examples/USER/eff/Li-solid/in.Li.bohr b/examples/USER/eff/Li-solid/in.Li.bohr index 6a97deaaba..a02d524d01 100644 --- a/examples/USER/eff/Li-solid/in.Li.bohr +++ b/examples/USER/eff/Li-solid/in.Li.bohr @@ -13,7 +13,7 @@ read_data data.${sname} pair_style eff/cut 20.88 limit/eradius pressure/evirials pair_coeff * * -communicate single vel yes +comm_modify vel yes neigh_modify one 2000 page 20000