|
Color particles based on displacement between frames
|
|
2
|
29
|
January 18, 2022
|
|
Using fix GCMC to plot adsorption isotherms
|
|
18
|
54
|
January 18, 2022
|
|
Running LAMMPS with KOKKOS
|
|
10
|
65
|
January 17, 2022
|
|
Cg minimization + shake algorithm
|
|
10
|
40
|
January 15, 2022
|
|
RDF with special bonds
|
|
3
|
63
|
January 13, 2022
|
|
Thermal Conductivity of a bulk metal through Green-Kubo
|
|
0
|
24
|
January 13, 2022
|
|
Erratic Behavior with Intel Pair and Ellipsoids
|
|
2
|
41
|
January 12, 2022
|
|
Question about LAMMPS trajectory file visualization
|
|
2
|
32
|
January 12, 2022
|
|
LAMMPS results analysis
|
|
2
|
48
|
January 12, 2022
|
|
Counting Vapor Atoms
|
|
1
|
32
|
January 10, 2022
|
|
ERROR: Incorrect args for pair coefficients (src/USER-REAXC/pair_reaxc.cpp:309)
|
|
6
|
47
|
January 9, 2022
|
|
KIM model name not found
|
|
7
|
47
|
January 6, 2022
|
|
Restarting rRESPA calculations
|
|
5
|
41
|
January 6, 2022
|
|
ERROR: Fix gcmc molecule command requires that atoms have molecule attributes (src/MC/fix_gcmc.cpp:538)
|
|
2
|
31
|
January 6, 2022
|
|
How to get core and shell coordiantes in the relax fit with core shell model?
|
|
2
|
44
|
January 5, 2022
|
|
Setting atom charge in LAMMPS
|
|
1
|
56
|
January 2, 2022
|
|
Spin package
|
|
7
|
62
|
December 31, 2021
|
|
Temp Ramp and Temp Damp
|
|
1
|
48
|
December 31, 2021
|
|
Two Questions about QUIP in LAMMPS
|
|
10
|
79
|
December 30, 2021
|
|
Invalid atom ID in Dihedrals section of data file (../atom.cpp:1432)
|
|
3
|
54
|
December 29, 2021
|
|
MOLECULE package
|
|
2
|
76
|
December 29, 2021
|
|
Thermal conductivity of SiC/graphene slab
|
|
0
|
45
|
December 29, 2021
|
|
Why the "ase.io.read()" doesn't work?
|
|
3
|
85
|
December 28, 2021
|
|
Bond order cutoff
|
|
5
|
79
|
December 26, 2021
|
|
ERROR: Group command requires atom attribute molecule (src/group.cpp:207)
|
|
5
|
64
|
December 23, 2021
|
|
Some questions about the vashishta
|
|
2
|
66
|
December 22, 2021
|
|
Convection modes
|
|
2
|
76
|
December 22, 2021
|
|
How to calculate the number of hydroxide and water molecule respectively in system?
|
|
1
|
47
|
December 21, 2021
|
|
ERROR: Fix gcmc cannot exchange individual atoms belonging to a molecule (src/MC/fix_gcmc.cpp:507)
|
|
2
|
40
|
December 20, 2021
|
|
Problems with data file
|
|
7
|
98
|
December 18, 2021
|
