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Updating potential in pair_style harmonic/cut and linesearch alpha is zero during minimisation
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0
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39
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May 4, 2024
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Minimisation iteration gets stuck once the energy is zero
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11
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131
|
April 26, 2024
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Defining dynamic dihedrals with atom types in coarse-grained system using fix bond/react
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3
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83
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April 23, 2024
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GCMC with Electrode
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7
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137
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April 22, 2024
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Error: Too many open files
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4
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92
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April 20, 2024
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Eff package: add a separate thermostat for electron radial
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1
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57
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April 19, 2024
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Storing atom attributes using fix property/atom while adding and deleting atoms
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1
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56
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April 19, 2024
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Bond timing using KOKKOS gpu acceleration
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4
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77
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April 18, 2024
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Call member funtion of a fix(not used in lammps script) class from another Fix(used in lammps script)
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11
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110
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April 18, 2024
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GPU package using QUIP potential
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6
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457
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April 11, 2024
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A modified fene/expand bond compilation
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2
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57
|
April 6, 2024
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Command to change load during simulation
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1
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75
|
April 4, 2024
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About heat flux dumping
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1
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68
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April 3, 2024
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Rerun command
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1
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62
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April 2, 2024
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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
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1
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70
|
March 29, 2024
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Multibody dynamics in Lammps
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3
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119
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March 28, 2024
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How to increase maximum element in MEAM header file
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8
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143
|
March 28, 2024
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AEAM LAMMPS plugin
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|
8
|
243
|
March 26, 2024
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Impose forces at each timestep
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4
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88
|
March 26, 2024
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How to map Atom Number or Atom ID
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8
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123
|
March 25, 2024
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Hope LAMMPS performs the first partition with multiple cores in TAD (temperature accelerated dynamics) calculations
|
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4
|
402
|
March 25, 2024
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Difficulty in using random seed for Fortran Based lammmps
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1
|
55
|
March 23, 2024
|
|
Using AI tools for LAMMPS development
|
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3
|
216
|
March 20, 2024
|
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Understanding Default Finnis-Sinclair Embedding Function in Silicon Simulations with PACE
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2
|
87
|
March 21, 2024
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Lmp.numpy.extract_fix() returns a sugle float when used with LMP_STYLE_GLOBAL and LMP_TYPE_ARRAY
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6
|
126
|
March 20, 2024
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Fetch contact force per atom
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1
|
80
|
March 20, 2024
|
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Ghost atom cutoff
|
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6
|
129
|
March 20, 2024
|
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Eff radial velocity update
|
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3
|
132
|
March 19, 2024
|
|
Set_internal_variable()
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1
|
77
|
March 19, 2024
|
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Subject: Parallelizing fix sgcmc with MTP in LAMMPS for Hybrid MD/MC simulation
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1
|
102
|
March 19, 2024
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