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Minimisation iteration gets stuck once the energy is zero
|
|
6
|
33
|
April 25, 2024
|
|
Defining dynamic dihedrals with atom types in coarse-grained system using fix bond/react
|
|
3
|
64
|
April 23, 2024
|
|
GCMC with Electrode
|
|
7
|
117
|
April 22, 2024
|
|
Error: Too many open files
|
|
4
|
69
|
April 20, 2024
|
|
Eff package: add a separate thermostat for electron radial
|
|
1
|
42
|
April 19, 2024
|
|
Storing atom attributes using fix property/atom while adding and deleting atoms
|
|
1
|
43
|
April 19, 2024
|
|
Bond timing using KOKKOS gpu acceleration
|
|
4
|
58
|
April 18, 2024
|
|
Call member funtion of a fix(not used in lammps script) class from another Fix(used in lammps script)
|
|
11
|
97
|
April 18, 2024
|
|
GPU package using QUIP potential
|
|
6
|
436
|
April 11, 2024
|
|
A modified fene/expand bond compilation
|
|
2
|
46
|
April 6, 2024
|
|
Command to change load during simulation
|
|
1
|
63
|
April 4, 2024
|
|
About heat flux dumping
|
|
1
|
54
|
April 3, 2024
|
|
Rerun command
|
|
1
|
49
|
April 2, 2024
|
|
Notes: These files were sent by Alexander Moore (Georgia Institute of Technology) on 13 Aug. 2015 and posted with his permission. He noted that "This is a MEAM potential for U, Zr, and U-Zr alloys. The files attached are the potential files for DYNAMO. It
|
|
1
|
62
|
March 29, 2024
|
|
Multibody dynamics in Lammps
|
|
3
|
100
|
March 28, 2024
|
|
How to increase maximum element in MEAM header file
|
|
8
|
120
|
March 28, 2024
|
|
AEAM LAMMPS plugin
|
|
8
|
209
|
March 26, 2024
|
|
Impose forces at each timestep
|
|
4
|
81
|
March 26, 2024
|
|
How to map Atom Number or Atom ID
|
|
8
|
108
|
March 25, 2024
|
|
Hope LAMMPS performs the first partition with multiple cores in TAD (temperature accelerated dynamics) calculations
|
|
4
|
393
|
March 25, 2024
|
|
Difficulty in using random seed for Fortran Based lammmps
|
|
1
|
48
|
March 23, 2024
|
|
Using AI tools for LAMMPS development
|
|
3
|
188
|
March 20, 2024
|
|
Understanding Default Finnis-Sinclair Embedding Function in Silicon Simulations with PACE
|
|
2
|
77
|
March 21, 2024
|
|
Lmp.numpy.extract_fix() returns a sugle float when used with LMP_STYLE_GLOBAL and LMP_TYPE_ARRAY
|
|
6
|
104
|
March 20, 2024
|
|
Fetch contact force per atom
|
|
1
|
72
|
March 20, 2024
|
|
Ghost atom cutoff
|
|
6
|
111
|
March 20, 2024
|
|
Eff radial velocity update
|
|
3
|
119
|
March 19, 2024
|
|
Set_internal_variable()
|
|
1
|
69
|
March 19, 2024
|
|
Subject: Parallelizing fix sgcmc with MTP in LAMMPS for Hybrid MD/MC simulation
|
|
1
|
86
|
March 19, 2024
|
|
A CUDA driver error 4 Due to the Failure of cuMemFreeHost
|
|
5
|
153
|
March 18, 2024
|