|
Potential energy remains stable during annealing process
|
|
0
|
6
|
June 26, 2025
|
|
Anyone knows a ReaxFF parameter set for silica/water/carbon chain molecule? Si/O/H/C
|
|
3
|
26
|
June 23, 2025
|
|
ReaxFF initial temperature spike (formatted)
|
|
5
|
56
|
June 3, 2025
|
|
Question About Using kspace_style with ReaxFF for Aluminosilicate Systems
|
|
4
|
41
|
May 27, 2025
|
|
Problem while reaxff simulation of ZnO deposited on silica glass SiO2 substrate
|
|
8
|
71
|
May 24, 2025
|
|
Getting segmentation faults from ReaxFF
|
|
5
|
38
|
May 20, 2025
|
|
Adding single-layer graphene using reaxff force field error：Incorrect args for pair coefficients
|
|
2
|
21
|
May 13, 2025
|
|
ReaxFF parameter file format error
|
|
3
|
27
|
May 6, 2025
|
|
LAMMPS, problem with ReaxFF and hybrid pair_style ERROR: Expected hybrid sub-style instead of
|
|
2
|
41
|
April 25, 2025
|
|
Need help for Error: Lost atoms when using reaxFF
|
|
3
|
33
|
April 24, 2025
|
|
A polymeric chain decomposes when using nvt in a ReaxFF simulation
|
|
4
|
55
|
April 14, 2025
|
|
Need help for constructing CIf file to lammps data file of clay
|
|
4
|
45
|
April 15, 2025
|
|
Using electric field in reaxff period boundary
|
|
10
|
921
|
April 2, 2025
|
|
Invalid force field file format
|
|
6
|
79
|
March 30, 2025
|
|
My ReaxFF simulation is weird
|
|
7
|
76
|
March 11, 2025
|
|
Fix reaxff/species : save molecules layer by layer
|
|
9
|
59
|
March 3, 2025
|
|
Lnowing the velocity of molecules using ReaxFF
|
|
1
|
24
|
February 28, 2025
|
|
Error message of the raaxff
|
|
2
|
31
|
February 26, 2025
|
|
Error in Lammps Simulation : MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD
|
|
2
|
211
|
February 17, 2025
|
|
'ERROR on proc 7: Non-numeric atom coords - simulation unstable' error
|
|
6
|
58
|
February 3, 2025
|
|
Possible memory problem with Reaxff when the total atom number increased
|
|
8
|
63
|
January 29, 2025
|
|
跑lammps时出现错误
|
|
4
|
108
|
November 25, 2024
|
|
Fix efield & fix_modify
|
|
3
|
46
|
November 14, 2024
|
|
QTPIE , how to use QTPIE in lammps?
|
|
13
|
579
|
November 13, 2024
|
|
**Research Consultation on Gasification of Coke with CO₂ under Applied Electric Field (Microwave)**
|
|
0
|
28
|
November 11, 2024
|
|
Segmentation fault: address not mapped to object at address 0xc2cfb87c
|
|
8
|
1400
|
November 6, 2024
|
|
Lammps
|
|
1
|
60
|
October 24, 2024
|
|
Use of reaxff with external electric field
|
|
23
|
318
|
October 23, 2024
|
|
All atoms move fast along the same direction during a lammps simulation using reaxff
|
|
1
|
65
|
September 14, 2024
|
|
Calculate dielectric constant with lammps and reaxff
|
|
3
|
95
|
September 13, 2024
|