Commit cdde51d8 authored by Rene Halver's avatar Rene Halver
Browse files

fixed example so that P3M also works, changed tolerance type in the FMM example

parent a944d1c9

examples/USER/scafacos/data.NaCl

+11 −11
Changes for examples/USER/scafacos/data.NaCl: 11 added lines, 11 removed lines.
Original line number Diff line number Diff line
@@ -4,9 +4,9 @@ LAMMPS Description 


2 atom types



0 2 xlo xhi 

0 2 ylo yhi 

0 2 zlo zhi 

0 1 xlo xhi 

0 1 ylo yhi 

0 1 zlo zhi 



Masses
@@ -15,11 +15,11 @@ Masses 


Atoms



1  2 1 0 0 0

2  1 -1 1 0 0

3  1 -1 0 1 0

4  2 1 1 1 0

5  1 -1 0 0 1

6  2 1 1 0 1

7  2 1 0 1 1

8  1 -1 1 1 1
 
1  2 1 0.25 0.25 0.25

2  1 -1 0.75 0.25 0.25

3  1 -1 0.25 0.75 0.25

4  2 1 0.75 0.75 0.25

5  1 -1 0.25 0.25 0.75

6  2 1 0.75 0.25 0.75

7  2 1 0.25 0.75 0.75

8  1 -1 0.75 0.75 0.75

examples/USER/scafacos/in.scafacos.fmm

+1 −1
Changes for examples/USER/scafacos/in.scafacos.fmm: 1 added line, 1 removed line.
Original line number Diff line number Diff line
@@ -29,7 +29,7 @@ pair_coeff * * 
#fix		2 all scafacos p3m tolerance field 0.001



kspace_style    scafacos fmm 0.001

kspace_modify    scafacos tolerance energy_rel

kspace_modify    scafacos tolerance energy



timestep	0.005

thermo          10

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