rename some examples folders

2021-06-29 20:21:53 -04:00
parent 878795e64a
commit 9d208c9ebd
396 changed files with 32 additions and 20 deletions
--- a/examples/PACKAGES/dpd-react/dpde-vv/in.dpde-vv
+++ b/examples/PACKAGES/dpd-react/dpde-vv/in.dpde-vv
@ -0,0 +1,32 @@
+# INPUT FILE FOR DPD_Fluid
+
+boundary        p p p
+
+units           metal  # ev, ps
+atom_style      dpd
+read_data       data.dpd
+
+comm_modify     mode single vel yes
+mass            1 125.9
+
+pair_style      dpd/fdt/energy 8.6 245455
+pair_coeff      1 1 0.075 0.022 3.2E-05 8.60
+
+neighbor        2.0 bin
+neigh_modify    every 1 delay 0 check no once no
+
+timestep        0.001
+
+fix             1 all dpd/energy
+fix             2 all nve
+fix             3 all eos/cv 0.00517041
+
+compute         dpdU all dpd
+
+variable        totEnergy equal pe+ke+c_dpdU[1]+c_dpdU[2]
+
+thermo          10
+thermo_style    custom step temp press pe ke c_dpdU[1] c_dpdU[2] v_totEnergy c_dpdU[4]
+thermo_modify   format float %24.16f
+
+run             1000