|
Thermostat and manostat in fix command in Lammps
|
|
6
|
293
|
December 14, 2022
|
|
Error: expected integer parameter instead of “…”' in input script or data file
|
|
4
|
1397
|
December 14, 2022
|
|
COM drift when using fix rigid/nvt/small on CO2 molecules
|
|
9
|
439
|
December 13, 2022
|
|
NPT simulation with RATTLE holonomic constraints
|
|
10
|
758
|
December 13, 2022
|
|
About "fix langevin"
|
|
5
|
578
|
December 12, 2022
|
|
Rigid body remap of velocities
|
|
5
|
493
|
December 9, 2022
|
|
Is it possible to fix bond length of TraPPE n-butane molecules?
|
|
2
|
414
|
December 9, 2022
|
|
Error in generating elastic constants using openkim FF
|
|
5
|
473
|
December 8, 2022
|
|
Output file of lammps - number of GPUs
|
|
1
|
227
|
December 7, 2022
|
|
Issues with combination of fix move, periodic boundary and KOKKOS
|
|
11
|
729
|
December 7, 2022
|
|
Compute efield/atom for pair_style coul/debye
|
|
6
|
345
|
December 7, 2022
|
|
System Not Charge Neutral with GCMC + NVT
|
|
3
|
297
|
December 6, 2022
|
|
Continuing the discussion from [[lammps-users] difficulty using molecule command to add a molecule](https://matsci.org/t/lammps-users-difficulty-using-molecule-command-to-add-a-molecule/40179/2)
|
|
3
|
276
|
December 5, 2022
|
|
Compression in NPT ensemble with ReaxFF potential
|
|
16
|
1326
|
December 5, 2022
|
|
Fix deform + parameter "delta"
|
|
1
|
276
|
December 5, 2022
|
|
Identification of a mistake in Lammps data file
|
|
4
|
263
|
December 5, 2022
|
|
Pair_style hybrid - Numeric index is out of bounds
|
|
4
|
712
|
December 4, 2022
|
|
LJ Potential Parameters
|
|
1
|
309
|
December 3, 2022
|
|
Thermal conductivity/heat flux in different axis
|
|
2
|
225
|
December 3, 2022
|
|
LAMMPS code debugging
|
|
8
|
618
|
December 2, 2022
|
|
Specifying pairwise interactions using OPLS file distributed with moltemplate
|
|
4
|
512
|
December 2, 2022
|
|
How to compute lost atoms in a simulation cell
|
|
2
|
248
|
December 1, 2022
|
|
Getting information from previous time step
|
|
2
|
382
|
December 1, 2022
|
|
Getting minimised coordinates using 2nd dump
|
|
2
|
197
|
November 30, 2022
|
|
Query Regarding Temporal Variation of Mean Square Displacement
|
|
2
|
374
|
November 30, 2022
|
|
Plotting potential between two particles
|
|
2
|
308
|
November 30, 2022
|
|
CPU vs GPU inconsistency in fix widom
|
|
1
|
279
|
November 29, 2022
|
|
Lammps-UEF
|
|
7
|
397
|
November 29, 2022
|
|
Problem while running NEB, neb style 'each'
|
|
10
|
1011
|
November 28, 2022
|
|
About Stillinger Weber Potential File of MoS2
|
|
1
|
552
|
November 28, 2022
|