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Unchanged box size after using fix box/relax?
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4
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299
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February 24, 2023
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Inserting anions into a LAMMPS datafile
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5
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1126
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February 24, 2023
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warning:REAXFF/reaxff_ffield
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14
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2286
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February 24, 2023
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Fix Deposit and Dangerous Builds
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1
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248
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February 24, 2023
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Restarting simulations with fix deform
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12
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971
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February 23, 2023
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Error reading molecule file
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9
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670
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February 23, 2023
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Colvars module: details on the pmf output computation
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1
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600
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February 22, 2023
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Issue with LAMMPS parameters in bilayer graphene configuration
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5
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573
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February 22, 2023
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Regarding way to compute only non-bonded forces on atoms using rerun command
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4
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235
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February 22, 2023
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Current Calculation in lammps
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6
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674
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February 20, 2023
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SPH/MD code
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3
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235
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February 20, 2023
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Incorrect Number of Bonds
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1
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256
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February 19, 2023
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Question on the pair potential table
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3
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253
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February 19, 2023
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Neighbor list builds = 6 Dangerous builds = 0 , error
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5
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341
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February 17, 2023
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Fix recenter command in cascade simulation
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2
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299
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February 17, 2023
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Read LAMMPS dump file using MatLab for post-processing: error: Unable to perform assignment because the size of the left side is 1-by-6 and the size of the right side is 0-by-0
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1
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412
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February 17, 2023
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Acceleration Variants
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5
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270
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February 17, 2023
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RDF using REAXFF
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0
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363
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February 17, 2023
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Diferent Temperature from ave/chunk temp and compute temp
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1
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225
|
February 16, 2023
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How to smooth the xrd output data
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2
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256
|
February 16, 2023
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Calculating Entropy in LAMMPS :ERROR on proc 0: Neighbor list overflow, boost neigh_modify one (src/npair_full_bin.cpp:120)
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4
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658
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February 15, 2023
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Heating rates in NVT/NPT simulation Lammps
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1
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355
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February 15, 2023
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Msd
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3
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243
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February 15, 2023
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Fix nve/asphere requires extended particles (../fix_nve_asphere.cpp:54)
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4
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331
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February 15, 2023
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This is the input file from lammps example for insertion / deletion of a hexane molecule in ethanol. Could anyone please explain what is V_q1, V_q2 and V_q3 and the script marked bold
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2
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264
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February 14, 2023
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ERROR fix widom region extends outside simulation box
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8
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767
|
February 14, 2023
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Unsatisfying isotropic phase with Gay-Berne NPT
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7
|
463
|
February 14, 2023
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Fix bond/react cannot break bonds in a small molecule
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7
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618
|
February 14, 2023
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Constrain Z positions of atoms in rigid graphene
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3
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573
|
February 13, 2023
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Segmentation Fault (Core Dumped) with Basic Simulation
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3
|
508
|
February 12, 2023
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