|
An issue with rigid/nvt local stress calculation
|
|
5
|
76
|
March 20, 2025
|
|
Inconsistent color legend for dislocations
|
|
3
|
18
|
March 17, 2025
|
|
Fix halt continue + run every
|
|
4
|
17
|
March 14, 2025
|
|
SPIN example input script crashing at time step 0
|
|
2
|
8
|
March 10, 2025
|
|
Random "unknown symbol" printed in the fix ave/time output file
|
|
3
|
18
|
March 5, 2025
|
|
(Bug in the DB?) Band gap for mp-1211100 became 0...
|
|
6
|
43
|
March 3, 2025
|
|
No variations in mobility - AMSET 2D materials
|
|
7
|
59
|
March 1, 2025
|
|
OVITO Wigner–Seitz defect analysis not working with LAMMPS xyz dump (it works with custom dumps)
|
|
5
|
35
|
March 1, 2025
|
|
About useing pair_style dispersion/d3 command
|
|
3
|
20
|
March 1, 2025
|
|
A missing pre-computed R2SCAN phase diagram
|
|
18
|
87
|
February 25, 2025
|
|
Angle_style cosine/delta issue
|
|
2
|
32
|
February 22, 2025
|
|
missed DOS of mp-568423
|
|
1
|
10
|
February 18, 2025
|
|
Fireworks release does not work any more
|
|
4
|
41
|
January 24, 2025
|
|
Inconsistency of fix spring and fix smd cfor
|
|
2
|
20
|
January 17, 2025
|
|
Suggested substrates were missing in mp-2189
|
|
2
|
32
|
January 8, 2025
|
|
"compute spin" does not give the total magnetization
|
|
5
|
235
|
January 8, 2025
|
|
Error in POP frequency calculation
|
|
1
|
86
|
December 31, 2024
|
|
How to stop or remove a stuck NOMAD upload?
|
|
5
|
16
|
December 11, 2024
|
|
Running LAMMPSERROR: Invalid fix ave/time argument
|
|
2
|
44
|
November 27, 2024
|
|
The 'fix heat' command does not effectively simulate the constant heat flux heating process
|
|
2
|
41
|
November 26, 2024
|
|
Creating Custom pair_style, bond_style, fix_style etc
|
|
3
|
28
|
November 26, 2024
|
|
Fix print not working for minimisation
|
|
6
|
40
|
November 24, 2024
|
|
Read atomic positions from QE MD output
|
|
0
|
29
|
November 15, 2024
|
|
Can not download coordination files from the molecular database
|
|
1
|
37
|
October 16, 2024
|
|
Discrepancy in CFF parameters between EMC versions
|
|
3
|
49
|
October 6, 2024
|
|
MP API Seems to Return Materials which are not in the Database
|
|
3
|
25
|
October 2, 2024
|
|
Crystal structure of cubic Ba (mp-122) is not correct
|
|
2
|
25
|
October 1, 2024
|
|
Bug in fix adapt?
|
|
3
|
31
|
September 24, 2024
|
|
Loop cannot be run normally in python lammps module
|
|
4
|
30
|
September 23, 2024
|
|
Pair potential not calculated when bond information is added
|
|
2
|
24
|
September 16, 2024
|