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Add force to only one ion in an ion group
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13
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363
|
September 29, 2023
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Problem with GPU-enabled pair styles
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18
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316
|
March 7, 2024
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A question on plotting autocorrelation function
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9
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403
|
February 16, 2024
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Trying to run Atomate Workflows: Failure in queue_launcher.py in launch_rocket_to_queue
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9
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372
|
May 26, 2023
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Error while using fix thermal/conductivity command using Lammps MARCH 21 version
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9
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411
|
June 26, 2023
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Pair_style ilp/graphene/hbn
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9
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401
|
August 7, 2023
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Segmentation Fault Error when Running LAMMPS in Parallel (mpirun -np 6)
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13
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336
|
September 6, 2023
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Force data of crystal and solid state materials in geometry optimization
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16
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374
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August 7, 2023
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Editing source code of fix srd to allow for polymer beads to be included in rotation step
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9
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239
|
February 5, 2024
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Do not understand the create_box command
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12
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356
|
October 20, 2023
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How to obtain a continuum view of SPH particles in OVITO?
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12
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197
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March 28, 2024
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Negative value for pairwise interaction between like charges
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11
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343
|
September 23, 2023
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Changing reference for all publications in a dataset
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17
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344
|
September 15, 2023
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EPM2 model does not reproduce literature data
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10
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372
|
November 3, 2023
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Creating data file using charmm2lammps
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10
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350
|
December 17, 2023
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How to unfix NPT ensemble?
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14
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297
|
November 29, 2023
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Randomly select a certain number of atoms (more than 1)
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10
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339
|
August 31, 2023
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ERROR on proc 0: Non-numeric atom coords - simulation unstable (../domain.cpp:551)
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9
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374
|
August 29, 2023
|
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New fix to be called before integration step
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13
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335
|
November 22, 2023
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How to delete specified molecules in a specific region when using ReaxFF?
|
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15
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301
|
September 7, 2023
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Putting simulation results into "results" subsection
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14
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364
|
July 13, 2023
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Force between two groups as a function of coordinates
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13
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348
|
October 20, 2023
|
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Missing rule (warnings emerge in the latest version of EMC)
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12
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355
|
August 28, 2023
|
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Issue in ramping temperature from 0K to 100K using NVT
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9
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344
|
November 13, 2023
|
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About error: Too many neighbor bins
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13
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302
|
May 28, 2023
|
|
L_surface and r_surface in fix_ttm_mod.cpp
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20
|
258
|
March 7, 2024
|
|
Periodic boundary conditions on a rotated box
|
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9
|
337
|
June 30, 2023
|
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Lammps output-file is loaded in VMD and the boundary condition seems wrong
|
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15
|
280
|
September 21, 2023
|
|
Validity of pre-computed phase diagrams for GGA/GGA+U/R2SCAN scheme
|
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13
|
326
|
February 22, 2024
|
|
WARNING: Using a manybody potential with bonds/angles/dihedrals and special_bond exclusions
|
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9
|
319
|
March 18, 2024
|
|
Condensate of proteins
|
|
14
|
353
|
May 19, 2023
|
|
Error: Total charge of system 'main' does not equal zero (charge = 0.222)
|
|
9
|
399
|
December 12, 2023
|
|
Issue with system density after running NPT simulation
|
|
12
|
302
|
November 9, 2023
|
|
Third_order from PHONON pkg does not respect symmetry constraints
|
|
11
|
353
|
June 7, 2023
|
|
Extremely slow startup of the app container
|
|
10
|
281
|
January 31, 2024
|
|
Mpi_run cannot be conducted with more than -np 4
|
|
13
|
255
|
December 16, 2023
|
|
Debugging 3rd party potential
|
|
12
|
179
|
February 21, 2024
|
|
UnKnown command error to legal command
|
|
11
|
323
|
May 13, 2023
|
|
Quick start for novice users of FireWorks
|
|
9
|
330
|
April 8, 2024
|
|
Mechanism for saving/returning to previous state without writing to disk
|
|
13
|
262
|
August 10, 2023
|
|
Apply hydrostatic pressure to two layers of MoS
|
|
11
|
280
|
August 31, 2023
|
|
Movement of COM in the MD simulation of 3D system consisting mobile and rigid molecules
|
|
19
|
238
|
March 6, 2024
|
|
Fix rigid: Atoms have moved too far apart
|
|
9
|
315
|
April 8, 2024
|
|
The input generated by material studio is not compatible with original group
|
|
9
|
290
|
December 18, 2023
|
|
Molfile Plugin for lammps
|
|
9
|
287
|
June 22, 2023
|
|
"In the process of using create_bonds, an issue occurred."
|
|
10
|
290
|
June 28, 2023
|
|
How should the electrode package deal with the intrinsic charges of semiconductors (such as MXene)?
|
|
9
|
302
|
January 17, 2024
|
|
How to output only the atoms positions after equilibrium?
|
|
11
|
256
|
August 4, 2023
|
|
Error with fix ave/time
|
|
10
|
260
|
November 17, 2023
|
|
Lammps result validation
|
|
17
|
218
|
November 16, 2023
|