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lines changed Original file line number Diff line number Diff line change @@ -38,7 +38,7 @@ compute sumcoor12 grp_t1 reduce ave c_coor12
3838thermo 1000
3939thermo_style custom step temp pe ke etotal &
4040 press v_n1_in v_n2_in c_sumcoor12
41- dump viz all image 100 myimage-*.ppm type type &
41+ dump viz all image 1000 myimage-*.ppm type type &
4242 shiny 0.1 box no 0.01 view 0 0 zoom 1.8 fsaa yes size 800 800
4343dump_modify viz adiam 1 1 adiam 2 3 acolor 1 &
4444 turquoise acolor 2 royalblue backcolor white
Original file line number Diff line number Diff line change 66# the first file will be automatically loaded
77decorate.lmp
88deform.lmp
9- reaxCHOFe.inc
109relax.lmp
1110silica.data
1211
1312# 2) solution files
1413# only downloaded on request
15- decorate-H.histo
16- decorate.lmp
17- decorate.log
18- decorate-O.histo
19- decorate.png
20- decorate-Si.histo
21- decorate.species
22- deform.data
23- deform.lmp
24- deform.log
25- deform-mod.data
26- deform-O.histo
27- deform.png
28- deform-Si.histo
29- deform.species
30- reaxCHOFe.inc
31- relax.data
32- relax.lmp
33- relax.log
34- relax-O.histo
35- relax.png
36- relax-Si.histo
37- relax.species
38- silica.data
14+ solution/ decorate-H.histo
15+ solution/ decorate.lmp
16+ solution/ decorate.log
17+ solution/ decorate-O.histo
18+ solution/ decorate.png
19+ solution/ decorate-Si.histo
20+ solution/ decorate.species
21+ solution/ deform.data
22+ solution/ deform.lmp
23+ solution/ deform.log
24+ solution/ deform-mod.data
25+ solution/ deform-O.histo
26+ solution/ deform.png
27+ solution/ deform-Si.histo
28+ solution/ deform.species
29+ solution/ reaxCHOFe.inc
30+ solution/ relax.data
31+ solution/ relax.lmp
32+ solution/ relax.log
33+ solution/ relax-O.histo
34+ solution/ relax.png
35+ solution/ relax-Si.histo
36+ solution/ relax.species
37+ solution/ silica.data
3938
4039# 3) support files
41-
40+ reaxCHOFe.inc
Original file line number Diff line number Diff line change @@ -8,24 +8,24 @@ cracking.lmp
88gcmc.lmp
99generate.lmp
1010H2O.mol
11- SiO.1990.vashishta
1211
1312# 2) solution files
1413# only downloaded on request
15- cracking.data
16- cracking-mod.data
17- gcmc.lmp
18- generate.data
19- generate.log
20- SiO.1990.vashishta
21- cracking.lmp
22- cracking.png
23- gcmc.log
24- generate.png
25- cracking.log
26- gcmc.png
27- generate.lmp
28- H2O.mol
14+ solution/ cracking.data
15+ solution/ cracking-mod.data
16+ solution/ gcmc.lmp
17+ solution/ generate.data
18+ solution/ generate.log
19+ solution/ SiO.1990.vashishta
20+ solution/ cracking.lmp
21+ solution/ cracking.png
22+ solution/ gcmc.log
23+ solution/ generate.png
24+ solution/ cracking.log
25+ solution/ gcmc.png
26+ solution/ generate.lmp
27+ solution/ H2O.mol
2928
3029# 3) support files
30+ SiO.1990.vashishta
3131
Original file line number Diff line number Diff line change 77free-sampling.lmp
88umbrella-sampling.meta
99umbrella-sampling.lmp
10- wham
1110
1211# 2) solution files
1312# only downloaded on request
14- free-sampling.dat
15- free-sampling.lmp
16- free-sampling.log
17- free-sampling.png
18- umbrella-sampling.dat
19- umbrella-sampling.lmp
20- umbrella-sampling.log
21- umbrella-sampling.png
22- wham
23- umbrella-sampling.meta
13+ solution/ free-sampling.dat
14+ solution/ free-sampling.lmp
15+ solution/ free-sampling.log
16+ solution/ free-sampling.png
17+ solution/ umbrella-sampling.dat
18+ solution/ umbrella-sampling.lmp
19+ solution/ umbrella-sampling.log
20+ solution/ umbrella-sampling.png
21+ solution/ wham
22+ solution/ umbrella-sampling.meta
2423
2524# 3) support files
26-
25+ wham
Original file line number Diff line number Diff line change @@ -16,30 +16,29 @@ polymerize.lmp
1616P-P_post.mol
1717P-P_pre.mol
1818P-P.rxnmap
19- solution
2019styrene.mol
2120
2221# 2) solution files
2322# only downloaded on request
24- CNT.data
25- mixing.log
26- mixing.restart
27- M-M_pre.mol
28- M-P_post.mol
29- M-P.rxnmap
30- polymerize.log
31- P-P_post.mol
32- P-P.rxnmap
33- mixing.data
34- mixing.lmp
35- mixing.png
36- M-M_post.mol
37- M-M.rxnmap
38- M-P_pre.mol
39- polymerize.data
40- polymerize.lmp
41- polymerize.png
42- P-P_pre.mol
43- styrene.mol
23+ solution/ CNT.data
24+ solution/ mixing.log
25+ solution/ mixing.restart
26+ solution/ M-M_pre.mol
27+ solution/ M-P_post.mol
28+ solution/ M-P.rxnmap
29+ solution/ polymerize.log
30+ solution/ P-P_post.mol
31+ solution/ P-P.rxnmap
32+ solution/ mixing.data
33+ solution/ mixing.lmp
34+ solution/ mixing.png
35+ solution/ M-M_post.mol
36+ solution/ M-M.rxnmap
37+ solution/ M-P_pre.mol
38+ solution/ polymerize.data
39+ solution/ polymerize.lmp
40+ solution/ polymerize.png
41+ solution/ P-P_pre.mol
42+ solution/ styrene.mol
4443
4544# 3) folders not known to LAMMPS GUI will be skipped
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