Loading doc/compute_stress_atom.html +2 −2 Original line number Diff line number Diff line Loading @@ -91,8 +91,8 @@ system. last 2 columns of thermo output will be the same: </P> <PRE>compute peratom all stress/atom compute p all sum c_peratom<B>1</B> c_peratom<B>2</B> c_peratom<B>3</B> variable press equal -(c_p<B>1</B>+c_p<B>2</B>+c_p<B>3</B>)/(3*vol) compute p all sum c_peratom[1] c_peratom[2] c_peratom[3] variable press equal -(c_p[1]+c_p[2]+c_p[3])/(3*vol) thermo_style custom step temp etotal press v_press </PRE> <P>IMPORTANT NOTE: The per-atom stress does NOT include contributions due Loading doc/compute_stress_atom.txt +2 −2 Original line number Diff line number Diff line Loading @@ -87,8 +87,8 @@ These lines in an input script should yield that result. I.e. the last 2 columns of thermo output will be the same: compute peratom all stress/atom compute p all sum c_peratom[1] c_peratom[2] c_peratom[3] variable press equal -(c_p[1]+c_p[2]+c_p[3])/(3*vol) compute p all sum c_peratom\[1\] c_peratom\[2\] c_peratom\[3\] variable press equal -(c_p\[1\]+c_p\[2\]+c_p\[3\])/(3*vol) thermo_style custom step temp etotal press v_press :pre IMPORTANT NOTE: The per-atom stress does NOT include contributions due Loading doc/dump.html +1 −1 Original line number Diff line number Diff line Loading @@ -80,7 +80,7 @@ information for atoms in the specified group is dumped. The included. Not all styles support all these options; see details below. </P> <P>IMPORTANT NOTE: Vecause periodic boundary conditions are enforced only <P>IMPORTANT NOTE: Because periodic boundary conditions are enforced only on timesteps when neighbor lists are rebuilt, the coordinates of an atom written to a dump file may be slightly outside the simulation box. Loading doc/dump.txt +1 −1 Original line number Diff line number Diff line Loading @@ -70,7 +70,7 @@ information for atoms in the specified group is dumped. The included. Not all styles support all these options; see details below. IMPORTANT NOTE: Vecause periodic boundary conditions are enforced only IMPORTANT NOTE: Because periodic boundary conditions are enforced only on timesteps when neighbor lists are rebuilt, the coordinates of an atom written to a dump file may be slightly outside the simulation box. Loading Loading
doc/compute_stress_atom.html +2 −2 Original line number Diff line number Diff line Loading @@ -91,8 +91,8 @@ system. last 2 columns of thermo output will be the same: </P> <PRE>compute peratom all stress/atom compute p all sum c_peratom<B>1</B> c_peratom<B>2</B> c_peratom<B>3</B> variable press equal -(c_p<B>1</B>+c_p<B>2</B>+c_p<B>3</B>)/(3*vol) compute p all sum c_peratom[1] c_peratom[2] c_peratom[3] variable press equal -(c_p[1]+c_p[2]+c_p[3])/(3*vol) thermo_style custom step temp etotal press v_press </PRE> <P>IMPORTANT NOTE: The per-atom stress does NOT include contributions due Loading
doc/compute_stress_atom.txt +2 −2 Original line number Diff line number Diff line Loading @@ -87,8 +87,8 @@ These lines in an input script should yield that result. I.e. the last 2 columns of thermo output will be the same: compute peratom all stress/atom compute p all sum c_peratom[1] c_peratom[2] c_peratom[3] variable press equal -(c_p[1]+c_p[2]+c_p[3])/(3*vol) compute p all sum c_peratom\[1\] c_peratom\[2\] c_peratom\[3\] variable press equal -(c_p\[1\]+c_p\[2\]+c_p\[3\])/(3*vol) thermo_style custom step temp etotal press v_press :pre IMPORTANT NOTE: The per-atom stress does NOT include contributions due Loading
doc/dump.html +1 −1 Original line number Diff line number Diff line Loading @@ -80,7 +80,7 @@ information for atoms in the specified group is dumped. The included. Not all styles support all these options; see details below. </P> <P>IMPORTANT NOTE: Vecause periodic boundary conditions are enforced only <P>IMPORTANT NOTE: Because periodic boundary conditions are enforced only on timesteps when neighbor lists are rebuilt, the coordinates of an atom written to a dump file may be slightly outside the simulation box. Loading
doc/dump.txt +1 −1 Original line number Diff line number Diff line Loading @@ -70,7 +70,7 @@ information for atoms in the specified group is dumped. The included. Not all styles support all these options; see details below. IMPORTANT NOTE: Vecause periodic boundary conditions are enforced only IMPORTANT NOTE: Because periodic boundary conditions are enforced only on timesteps when neighbor lists are rebuilt, the coordinates of an atom written to a dump file may be slightly outside the simulation box. Loading
