|
Getting started guide for posting LAMMPS questions to MatSci.org
|
|
17
|
647
|
August 26, 2023
|
|
AI trained LAMMPSbot soon to help LAMMPS developers to respond to forum questions
|
|
9
|
239
|
April 3, 2024
|
|
LAMMPS GUI Test version for macOS, Windows and Linux
|
|
59
|
1537
|
October 31, 2023
|
|
OPLS-AA force field
|
|
33
|
1104
|
February 28, 2024
|
|
To use fine-tuning to train GPT to be an expert of LAMMPS
|
|
13
|
647
|
August 27, 2023
|
|
Lammps thermal conductivity
|
|
15
|
649
|
April 6, 2024
|
|
Lammps with Kokkos using SYCL for Intel PVC GPU
|
|
55
|
657
|
January 24, 2024
|
|
My NOMAD upload is stuck - it is processing data for 4 days already
|
|
56
|
532
|
May 2, 2024
|
|
Glass-forming liquid
|
|
26
|
829
|
August 2, 2023
|
|
How to run lammps simulation on amd ryzen7 5700g using all cores and all thread?
|
|
16
|
797
|
May 25, 2023
|
|
A disconnect between "compute pressure" and "press/berendsen" when bpm package is used in 2023 feature lammps
|
|
35
|
721
|
July 20, 2023
|
|
403 returned, the api_key doesn't work
|
|
16
|
749
|
February 23, 2024
|
|
ERROR: Lost atoms: original 1092 current 1091 (src/thermo.cpp:488)
|
|
10
|
866
|
August 24, 2023
|
|
Problem on building Lammps with Python
|
|
20
|
663
|
September 12, 2023
|
|
Overprediction of Density by LAMMPS for R134 (1,1,1,2 Polytetraflouroethylene)
|
|
28
|
593
|
June 13, 2023
|
|
MPRester was working last Thursday, now not working
|
|
15
|
779
|
February 22, 2024
|
|
Not able to retrieve elasticity data
|
|
12
|
640
|
December 3, 2023
|
|
Discrepency beween old version and new version
|
|
12
|
569
|
August 5, 2023
|
|
Error: Triclinic box skew is too large
|
|
10
|
638
|
October 30, 2023
|
|
KOKKOS Installation
|
|
12
|
546
|
July 23, 2023
|
|
About mixing of coefficients of pair_style granular
|
|
14
|
654
|
June 7, 2023
|
|
Pourbaix Diagram for an Alloy/Solid
|
|
10
|
702
|
October 31, 2023
|
|
Why non-reacting atoms (part ethylene) move much slowly in the whole?
|
|
28
|
485
|
January 6, 2024
|
|
MD Simulation of 2D polymers. Ok with a "small" molecule, crash with a larger one. Suggestions greatly appreciated
|
|
21
|
475
|
July 11, 2023
|
|
Fix bond/react general
|
|
19
|
465
|
July 31, 2023
|
|
TIP4P/2005 and TIP4P/2005f parameters
|
|
13
|
583
|
July 20, 2023
|
|
Changing the LAMMPS source code for applying electric field
|
|
9
|
597
|
October 11, 2023
|
|
How to get proper density for Polymeric system?
|
|
13
|
487
|
November 7, 2023
|
|
"bond atom missing" when using the bond/react command for a reversible reaction
|
|
14
|
501
|
October 19, 2023
|
|
VasprunXMLValidator error in the middle of a workflow
|
|
9
|
510
|
July 28, 2023
|
|
Error for ElementProperty Source:Magpie
|
|
9
|
461
|
February 23, 2024
|
|
LAMMPS simulation on silica with piston
|
|
9
|
571
|
June 5, 2023
|
|
MEAM, zbl=1 -blend the MEAM with the ZBL potential for small atom separations
|
|
9
|
573
|
December 19, 2023
|
|
Understanding performance metrics
|
|
20
|
374
|
June 23, 2023
|
|
NOMAD cannot recognize MD data done by GROMACS
|
|
17
|
435
|
December 20, 2023
|
|
Hi, I'm new and I need some help in my code
|
|
10
|
454
|
July 9, 2023
|
|
Dumping Temperature of the whole system
|
|
11
|
433
|
July 26, 2023
|
|
Traversing the Materials Project Database for Perovskite Compounds
|
|
10
|
510
|
February 22, 2024
|
|
Lammps vector variable calculation
|
|
9
|
462
|
February 25, 2024
|
|
Change topology from GAFF to REAXff
|
|
14
|
395
|
January 12, 2024
|
|
Doubt using read_data command multiple times in the same code
|
|
14
|
402
|
August 2, 2023
|
|
How to enable cufft in kokkos cuda build?
|
|
11
|
370
|
January 6, 2024
|
|
Bug - Atoms outside the box
|
|
16
|
370
|
June 7, 2023
|
|
MD simulation
|
|
11
|
429
|
November 13, 2023
|
|
Speeding up ci-reaxFF using MPI
|
|
12
|
462
|
June 29, 2023
|
|
Problem with GPU-enabled pair styles
|
|
18
|
332
|
March 7, 2024
|
|
Material studio to LAMMPS
|
|
16
|
314
|
July 2, 2023
|
|
Binning heat capacity
|
|
17
|
312
|
March 12, 2024
|
|
Error in log in with constant complete your registration pop-up
|
|
11
|
223
|
February 22, 2024
|
|
Add force to only one ion in an ion group
|
|
13
|
371
|
September 29, 2023
|