update kim_style command semantics as discussed in PR #1440

this also adds documentation of error messages in the kim_style header

examples/kim/in.kim.VOH.simulator_model

@@ -8,7 +8,7 @@ kim_style init Sim_LAMMPS_ReaxFF_ChenowethVanDuinPersson_2008_CHOV__SM_429148913
 
 read_data	data.VOH
 
-kim_style define NULL H C O V
+kim_style define H C O V
 
 neighbor	2 bin
 neigh_modify	every 10 delay 0 check no

examples/kim/in.kim.ex_si.simulator_model

@@ -54,7 +54,7 @@ velocity all create ${thi} 5287286 mom yes rot yes dist gaussian
 
 group del id 300
 delete_atoms group del
-kim_style   define  NULL Si
+kim_style   define  Si
 
 thermo          10
 

examples/kim/in.kim.ex_si_1.simulator_model

@@ -1,69 +0,0 @@
-
-units           metal
-kim_style   init  ex_sim_model_Si_mod_tersoff
-
-atom_style      atomic
-atom_modify     map array
-boundary        p p p
-
-# temperatures
-variable tlo equal 1800.0
-variable thi equal 2400.0
-
-# coordination number cutoff
-
-variable r equal 2.835
-
-# minimization parameters
-
-variable etol equal 1.0e-5
-variable ftol equal 1.0e-5
-variable maxiter equal 100
-variable maxeval equal 100
-variable dmax equal 1.0e-1
-
-# diamond unit cell
-
-variable a equal 5.431
-lattice         custom $a               &
-                a1 1.0 0.0 0.0          &
-                a2 0.0 1.0 0.0          &
-                a3 0.0 0.0 1.0          &
-                basis 0.0 0.0 0.0       &
-                basis 0.0 0.5 0.5       &
-                basis 0.5 0.0 0.5       &
-                basis 0.5 0.5 0.0       &
-                basis 0.25 0.25 0.25    &
-                basis 0.25 0.75 0.75    &
-                basis 0.75 0.25 0.75    &
-                basis 0.75 0.75 0.25
-
-region          myreg block     0 4 &
-                                0 4 &
-                                0 4
-create_box      1 myreg
-create_atoms    1 region myreg
-
-mass            1       28.06
-
-group Si type 1
-
-velocity all create ${thi} 5287286 mom yes rot yes dist gaussian
-
-# make a vacancy
-
-group del id 300
-delete_atoms group del
-kim_style   define  ex_sim_model_Si_mod_tersoff Si
-
-thermo          10
-
-fix             1 all nve
-fix 		2 all langevin ${thi} ${thi} 0.1 48278
-
-timestep        1.0e-3
-neighbor        1.0 bin
-neigh_modify    every 1 delay 10 check yes
-
-run             100
-

examples/kim/in.kim.lj.simulator_model

@@ -18,6 +18,8 @@ units		metal
 atom_style	atomic
 newton          on
 
+kim_style       init LennardJones_Ar
+
 lattice		fcc 4.4300
 region		box block 0 ${xx} 0 ${yy} 0 ${zz}
 create_box	1 box
@@ -26,7 +28,7 @@ create_atoms	1 box
 #pair_style	lj/cut 8.1500
 #pair_coeff	1 1 0.0104 3.4000
 
-kim_style      define LennardJones_Ar Ar
+kim_style      define Ar
 
 mass		1 39.95
 velocity	all create 200.0 232345 loop geom