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NPT ensemble dynamic relaxation process, temperature rise problem
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6
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32
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September 24, 2021
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What is the difference between minimize relaxation and nvt/npt relaxation in LAMMPS?
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1
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15
|
September 24, 2021
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C++ library like ASE
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0
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15
|
September 23, 2021
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"Domain too large for neighbor bins" error but no significant change of domain
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3
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69
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September 23, 2021
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Gpu+mpirun error: Too many neighbors on GPU. Use neigh_modify one to increase limit
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24
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111
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September 23, 2021
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111 and 100 Pt Surface (urgent)
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1
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45
|
September 21, 2021
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Setting Parameters in LAMMPS using kim_param
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2
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24
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September 21, 2021
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Temperature using the brownian dynamics
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2
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27
|
September 20, 2021
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Atom deposition using rebo potential
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2
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32
|
September 20, 2021
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111 and 100 Pt Surface Position file
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1
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38
|
September 18, 2021
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Generate Pt 111 and 100 surface Position file
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0
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17
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September 18, 2021
|
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Problem with Pair_style hybrid/overlay using Tersoff&EAM
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3
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27
|
September 17, 2021
|
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Whether the LAMMPS can do the transformation of Ti alloys（solid phase transition）
|
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1
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25
|
September 16, 2021
|
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Can't get the same number density as previous literature by using mdpd method on LAMMPS
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2
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26
|
September 15, 2021
|
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Output trajectory for dynamical calculation
|
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1
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20
|
September 15, 2021
|
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Make a lammps data file including: Atoms position, bonds, angles, dihedrals
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0
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27
|
September 13, 2021
|
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Accessing variables with PyLammps but having "'NoneType' object is not subscriptable" error
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6
|
80
|
September 12, 2021
|
|
Group of atoms don't move under set velocity (possible lammps bug?)
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2
|
42
|
September 7, 2021
|
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Thermal stability of Polymer Compounds using ReaxFF
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2
|
61
|
September 3, 2021
|
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Bond_coeff
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1
|
67
|
September 2, 2021
|
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Thermal conductivity of fluid LJ muller plathe method
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3
|
69
|
September 2, 2021
|
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Interaction force
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1
|
31
|
September 2, 2021
|
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Calculate LJ potential energy of a deformed configuration using dumped coordinates
|
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3
|
38
|
September 1, 2021
|
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Kpsace Coulomb parameters choice
|
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2
|
49
|
September 1, 2021
|
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Problem of definition of variable parameters
|
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4
|
64
|
August 31, 2021
|
|
Coarse-Grained Question involving Lennard Jones Parameters
|
|
1
|
35
|
August 30, 2021
|
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Lammps REBO pair_coeffient
|
|
5
|
54
|
August 27, 2021
|
|
ERROR: Out of range atoms - cannot compute PPPM
|
|
7
|
137
|
August 22, 2021
|
|
Ewald calculation in the 2nd derivative of Coul potential energy
|
|
4
|
47
|
August 22, 2021
|
|
Python and other language
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|
5
|
87
|
August 18, 2021
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