#tests tablulated real space calculations agains real space calculated every time step

read_restart e0.rs

###### reference run

pair_style 	lj/cut/coul/long 10

pair_modify	table 0

kspace_style			pppm 1.0e-3
kspace_modify			mesh 10 10 24
kspace_modify			gewald 0.238136
pair_modify			mix geometric

pair_coeff			1 1 0.066 3.5
pair_coeff			2 2 0.066 3.5
pair_coeff			3 3 0.03 2.5

fix             1 all nve

run             0
fix             ref all store/state 0 fx fy fz

###### test run

pair_style 	lj/cut/coul/long 10

pair_modify	table 12
pair_modify	tabinner 9

kspace_style			pppm 1.0e-3
kspace_modify			mesh 10 10 24
kspace_modify			gewald 0.238136
pair_modify			mix geometric

pair_coeff			1 1 0.066 3.5
pair_coeff			2 2 0.066 3.5
pair_coeff			3 3 0.03 2.5

fix             1 all nve
compute 	myRDF all rdf 50
fix 		2 all ave/time 1 1 1 c_myRDF file tmp.rdf mode vector 

run             0
fix             test all store/state 0 fx fy fz

variable        fsq atom ((f_ref[1])^2+(f_ref[2])^2+(f_ref[3])^2)
variable        ferrsq atom ((f_ref[1]-f_test[1])^2+(f_ref[2]-f_test[2])^2+(f_ref[3]-f_test[3])^2)
compute         avefsq  all reduce ave v_fsq
compute         avefersq all reduce ave v_ferrsq
thermo_style    custom c_avefsq c_avefersq
run             0
variable        rms_force_error equal sqrt(c_avefersq)
variable        relative_rms_force_error equal sqrt(c_avefersq)/sqrt(c_avefsq)
print           "computed absolute RMS force accuracy = ${rms_force_error}"
print           "computed relative RMS force accuracy = ${relative_rms_force_error}"