added manifest file

Author: simongravelle

files/tutorial6/.manifest

@@ -0,0 +1,31 @@
+# LAMMPS Tutorial manifest file. This file determines what is downloaded when.
+# comments start with a # as the first character.
+# comments and empty lines are ignored
+##############################################################################
+# 1) input file templates and data files
+# the first file will be automatically loaded
+cracking.lmp
+gcmc.lmp
+generate.lmp
+H2O.mol
+SiO.1990.vashishta
+
+# 2) solution files
+# only downloaded on request
+cracking.data
+cracking-mod.data
+gcmc.lmp
+generate.data
+generate.log
+SiO.1990.vashishta
+cracking.lmp
+cracking.png
+gcmc.log
+generate.png
+cracking.log
+gcmc.png
+generate.lmp
+H2O.mol
+
+# 3) support files
+

files/tutorial6/gcmc.lmp

@@ -0,0 +1,10 @@
+
+units metal
+boundary p p p
+atom_style full
+
+pair_style hybrid/overlay vashishta lj/cut/tip4p/long OW HW OW-HW HW-OW-HW 0.1546 10
+kspace_style pppm/tip4p 1.0e-5
+bond_style harmonic
+angle_style harmonic
+

files/tutorial6/solution/SiO.data

@@ -4,13 +4,10 @@ boundary p p p
 atom_style full
 
 pair_style hybrid/overlay vashishta lj/cut/tip4p/long OW HW OW-HW HW-OW-HW 0.1546 10
-kspace_style pppm/tip4p 1.0e−4
+kspace_style pppm/tip4p 1.0e-5
 bond_style harmonic
 angle_style harmonic
 
-neighbor 1.0 bin
-neigh_modify delay 1
-
 read_data cracking-mod.data
 molecule h2omol H2O.mol
 create_atoms 0 random 3 3245 NULL mol h2omol 4585 overlap 2.0 maxtry 50