Kspace for non-periodic boundary condition
|
|
3
|
251
|
March 4, 2023
|
Issue with Born Potential
|
|
1
|
207
|
March 3, 2023
|
Running LAMMPS on GPU from python script
|
|
1
|
579
|
March 2, 2023
|
How to model a TIP5P water molecule?
|
|
6
|
403
|
March 2, 2023
|
Verlet/split and pppm
|
|
5
|
430
|
March 1, 2023
|
Low viscosity value for polymer system using Green-Kubo (GK) formula
|
|
2
|
331
|
March 1, 2023
|
Multiple time origins in LAMMPS
|
|
0
|
279
|
March 1, 2023
|
At the late stage of NVT calculation, the atoms no longer move
|
|
7
|
569
|
March 1, 2023
|
Output generated is not printed
|
|
3
|
240
|
March 1, 2023
|
Cannot find lennard jone parameter
|
|
1
|
195
|
March 1, 2023
|
How does lammps compress the model to a specified density or size?
|
|
1
|
349
|
March 1, 2023
|
Questions about pair potential and RDF in lammps
|
|
11
|
792
|
March 1, 2023
|
About the stencil order in pppm
|
|
2
|
261
|
March 1, 2023
|
I was running a simulation in LAMMPS but got the error :Unexpected empty line in BondCoeffs section (src/read_data.cpp:1821) Last command: read_data data.CdS_water1
|
|
1
|
643
|
March 1, 2023
|
Thermal conductivity calculation of Argon gas using Green-Kubo formalism
|
|
3
|
545
|
March 1, 2023
|
Equilibration of polymer structure
|
|
2
|
328
|
March 1, 2023
|
What does Green-Kubo method calculate in case of a temperature gradient?
|
|
1
|
262
|
February 28, 2023
|
Particles velocities are not corresponding to the temperature
|
|
2
|
248
|
February 28, 2023
|
How to create atoms randomly distributed on the lattice site?
|
|
2
|
283
|
February 28, 2023
|
Running yukawa/colloid and colloid as hybrid pair_styles on gpu
|
|
5
|
379
|
February 27, 2023
|
Why is spring energy non zero for the initial configuration at zeroth time-step after the fix self/spring is issued?
|
|
6
|
268
|
February 27, 2023
|
I am getting the error .ERROR on proc 0: Invalid header keyword: atom (src/molecule.cpp:491) Last command: molecule water data.water
|
|
1
|
537
|
February 27, 2023
|
Moving two layer over one another
|
|
2
|
271
|
February 27, 2023
|
Input file for GCMC simulation using Lammps
|
|
1
|
355
|
February 27, 2023
|
Force field of chromate in MD
|
|
1
|
189
|
February 27, 2023
|
ERROR: Fix gcmc cannot exchange individual atoms belonging to a molecule (src/MC/fix_gcmc.cpp:507)
|
|
7
|
986
|
February 27, 2023
|
Mercury Potential
|
|
1
|
183
|
February 27, 2023
|
Meaning of zero pressure in LAMMPS's fix npt
|
|
3
|
1010
|
February 26, 2023
|
How to dump the kinetic energy of rigid molecule
|
|
2
|
350
|
February 26, 2023
|
Counting Vapor Atoms
|
|
2
|
337
|
February 25, 2023
|