Loading doc/compute_stress_atom.html +1 −1 Original line number Diff line number Diff line Loading @@ -91,7 +91,7 @@ pressure of the system. last 2 columns of thermo output will be the same: </P> <PRE>compute peratom all stress/atom compute p all sum c_peratom[1] c_peratom[2] c_peratom[3] compute p all reduce 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> Loading doc/compute_stress_atom.txt +1 −1 Original line number Diff line number Diff line Loading @@ -88,7 +88,7 @@ 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\[3\] compute p all reduce 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 Loading Loading
doc/compute_stress_atom.html +1 −1 Original line number Diff line number Diff line Loading @@ -91,7 +91,7 @@ pressure of the system. last 2 columns of thermo output will be the same: </P> <PRE>compute peratom all stress/atom compute p all sum c_peratom[1] c_peratom[2] c_peratom[3] compute p all reduce 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> Loading
doc/compute_stress_atom.txt +1 −1 Original line number Diff line number Diff line Loading @@ -88,7 +88,7 @@ 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\[3\] compute p all reduce 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 Loading
