|
Energy minimization for Berendsen thermostat (temp/Berendsen)+ NVE
|
|
4
|
36
|
April 29, 2024
|
|
Airebo with meam & lj/cut in hybrid pair style
|
|
3
|
20
|
April 29, 2024
|
|
How to set the temperature in the "fix nvt" command when the molecules are partially restricted
|
|
2
|
46
|
April 27, 2024
|
|
Dipole Fluctuation Method for Water
|
|
1
|
28
|
April 27, 2024
|
|
Inquiry Regarding Centering Polymer Head in LAMMPS Movie Dump
|
|
13
|
36
|
April 27, 2024
|
|
Add fix gravity to vibration model?
|
|
0
|
66
|
April 27, 2024
|
|
Problem with fix ave/histo
|
|
9
|
82
|
April 27, 2024
|
|
Calculate MSD in a particular region of a particular type atom
|
|
6
|
103
|
April 27, 2024
|
|
How to merge two data files with different force fields
|
|
4
|
63
|
April 26, 2024
|
|
Meam potential in pair_style hybrid command
|
|
0
|
23
|
April 26, 2024
|
|
Print timestep when two atoms cross x-position
|
|
3
|
29
|
April 26, 2024
|
|
Fix bond/react: Bond type affected by reaction myrxn1 is too close to template edge
|
|
22
|
695
|
April 25, 2024
|
|
Interfacial interaction energy (IE)
|
|
2
|
39
|
April 25, 2024
|
|
Strange phenomenon in borophene stretch simulation
|
|
2
|
63
|
April 25, 2024
|
|
PhD Position in Atomistic Simulations of Microstructure-Induced Failure
|
|
0
|
41
|
April 24, 2024
|
|
Deforming epoxy network in different ensambles
|
|
9
|
81
|
April 23, 2024
|
|
Write data during md run
|
|
6
|
62
|
April 23, 2024
|
|
LAMMPS Benchmarking memory allocation issue
|
|
3
|
62
|
April 23, 2024
|
|
Simple shear to elastic network
|
|
8
|
147
|
April 22, 2024
|
|
How to determine whether unreasonable force field or structure leads to bond atoms missing
|
|
1
|
44
|
April 22, 2024
|
|
Linesearch alpha is zero - During energy minimization
|
|
2
|
32
|
April 22, 2024
|
|
Fix GCMC acceptance rate
|
|
1
|
37
|
April 22, 2024
|
|
Water viscosity using sllod algorithim
|
|
0
|
43
|
April 22, 2024
|
|
How to read the definition of groups from a file
|
|
3
|
49
|
April 22, 2024
|
|
Changing the temperature of the system using a user defined temperature function
|
|
6
|
147
|
April 22, 2024
|
|
Bonds affected by neighbor lists?
|
|
5
|
65
|
April 22, 2024
|
|
Vashishta type potential for Al2O3
|
|
1
|
47
|
April 20, 2024
|
|
Different behaviour of fix adapt for single instantce vs. multiple instances with python variable
|
|
0
|
38
|
April 20, 2024
|
|
Stress sigmazz negative for both tensile and compressive deformations along z-axis
|
|
0
|
46
|
April 19, 2024
|
|
How to generate the structure file in the gzipped format with Fortran code?
|
|
2
|
62
|
April 19, 2024
|