|
Possible issue with ShengBTE FORCE_CONSTANTS_3RD file handling
|
|
4
|
24
|
November 14, 2025
|
|
Trying the first steps with MP's API guide.
|
|
1
|
32
|
October 31, 2025
|
|
Fix bond/react dihedrals erroneous deletion upon non-self bond breaking
|
|
1
|
53
|
October 31, 2025
|
|
Arrow width not showing in Displacement vectors
|
|
2
|
30
|
October 27, 2025
|
|
Ovito for Apple silicon Mac opens large lammps file, but doesn't show any atoms
|
|
6
|
47
|
October 15, 2025
|
|
Initializing Filepad with URI mode raises InvalidName error
|
|
4
|
40
|
October 14, 2025
|
|
Invalid lattice parameters vs reported symmetry
|
|
1
|
27
|
October 2, 2025
|
|
Bug in creation of symmetrized cif files
|
|
1
|
22
|
September 24, 2025
|
|
Particles in the topology dataset have identifiers but trajectory particles do not
|
|
3
|
41
|
September 23, 2025
|
|
Spatial Correlation Function crashes on some structures
|
|
4
|
49
|
September 18, 2025
|
|
Ehull mismatch
|
|
5
|
35
|
September 16, 2025
|
|
System Reboots When Running LAMMPS with >24 MPI Ranks via Python (Windows 11, i9-13900K)
|
|
3
|
35
|
September 15, 2025
|
|
Disappearance of Energy Corrections for mp‑1100405 (ScTeRh) under GGA/GGA+U
|
|
4
|
51
|
August 11, 2025
|
|
EMC bug for overriding force field charges in groups with polymerization endpoints
|
|
4
|
91
|
August 8, 2025
|
|
Apparent bug handling alternative space group settings
|
|
1
|
38
|
August 8, 2025
|
|
(Bug in the DB?) Band gap for mp-1211100 became 0...
|
|
14
|
136
|
August 4, 2025
|
|
Bug when exporting lammps dump files
|
|
1
|
33
|
August 4, 2025
|
|
Link to the Tinker XYZ format in the doc probably need to be updated
|
|
7
|
58
|
August 3, 2025
|
|
Mp-api robocrys keyword search misses materials
|
|
3
|
69
|
July 25, 2025
|
|
Consistency issue between ThermoDoc and SummaryDoc
|
|
3
|
39
|
September 8, 2025
|
|
Inconsistent results from Materials Project API and the website?
|
|
4
|
34
|
July 16, 2025
|
|
Unexpected Shear Stress Drop After Restarting a Granular Simulation
|
|
1
|
31
|
July 15, 2025
|
|
Bulk modulus data returned from mp-api missing from webapp
|
|
1
|
43
|
July 10, 2025
|
|
Nan in the log.lammps
|
|
1
|
29
|
June 22, 2025
|
|
LAMMPS (Aug 2024) Problem to compute pairwise distance between atoms
|
|
3
|
33
|
June 16, 2025
|
|
BUG: atomate2 failed to compute the 3rd-order elastic tensor
|
|
0
|
31
|
June 15, 2025
|
|
Can't Accept GNoMe Dataset License Agreement
|
|
4
|
42
|
June 12, 2025
|
|
Discrepancy Between API and Website for Stable Structures (e.g., Ag Metal)
|
|
5
|
36
|
June 11, 2025
|
|
LAMMPS (2 Apr 2025) Incorrect number of atoms in the output file.
|
|
7
|
62
|
May 30, 2025
|
|
Problem while reaxff simulation of ZnO deposited on silica glass SiO2 substrate
|
|
8
|
126
|
May 24, 2025
|