|
Querying Spacegroup number and crystal system using Materials Project API
|
|
5
|
9
|
December 18, 2024
|
|
Indices found by ovito.data.CutoffNeighborFinder look like overflow?
|
|
2
|
18
|
December 17, 2024
|
|
An error in amset deform read: raise ValueError(f"Expected {n_expected} points but found {n_mapped}
|
|
3
|
678
|
December 17, 2024
|
|
Colvars stops dumping after ~2^31 steps
|
|
7
|
50
|
December 14, 2024
|
|
KIM model name not found
|
|
2
|
8
|
December 13, 2024
|
|
Parallel simulation
|
|
5
|
70
|
December 12, 2024
|
|
Fail to run lammps by GPU with kokkos
|
|
1
|
25
|
December 11, 2024
|
|
Using Phonons.run after single-point calculation in Quantum Espresso - PropertyNotImplemented Error
|
|
3
|
33
|
December 11, 2024
|
|
Error when calculating deformation.h5:ERROR: Strains do not cover full tensor, check calculations
|
|
0
|
8
|
December 11, 2024
|
|
Inquiry Regarding Compatible Versions of mp-api with Materials Project Database
|
|
3
|
13
|
December 11, 2024
|
|
Merging two data files in the write_data format or using a restart file - Simulating Polymer Welding
|
|
1
|
27
|
December 9, 2024
|
|
Regarding the issue of using the Colvars module
|
|
7
|
78
|
December 5, 2024
|
|
Lammps on Slurm different results for different tasks per node
|
|
1
|
20
|
December 4, 2024
|
|
Fix gcmc put atom outside box
|
|
1
|
16
|
December 4, 2024
|
|
Liblammps_mpi.so.0: undefined reference to `plumed_free' and `plumed_malloc'
|
|
2
|
13
|
December 2, 2024
|
|
Installation error
|
|
0
|
5
|
November 30, 2024
|
|
Amset run error
|
|
4
|
1087
|
November 28, 2024
|
|
Running LAMMPSERROR: Invalid fix ave/time argument
|
|
2
|
34
|
November 27, 2024
|
|
"Non-numeric atom coords - simulation unstable" error
|
|
6
|
67
|
November 27, 2024
|
|
Heating Rate Issue in LAMMPS ‘fix heat’ Command
|
|
4
|
53
|
November 26, 2024
|
|
Error in NPT equilibration (NAN density) after NVT
|
|
1
|
15
|
November 26, 2024
|
|
ERROR:LAMMPS provides no message, while the supercomputer reports a segmentation fault.
|
|
5
|
28
|
November 24, 2024
|
|
Losing atoms error
|
|
3
|
48
|
November 22, 2024
|
|
Question about indices of a new fix in parallel
|
|
3
|
33
|
November 22, 2024
|
|
Insufficient memory on accelerator on GPU
|
|
22
|
223
|
November 20, 2024
|
|
Amset deform read with pymatgen Symmetry Undetermined Error
|
|
0
|
32
|
November 20, 2024
|
|
Deform Box and perform NVT
|
|
1
|
20
|
November 18, 2024
|
|
RuntimeError: Calculations were not performed using the same k-point mesh (3, 3, 3) != (3, 3, 1)
|
|
1
|
299
|
November 16, 2024
|
|
Materials Project API Access: 403 Error Using Netlify Proxy
|
|
3
|
23
|
November 16, 2024
|
|
Problems about having access to compute rigid/region
|
|
1
|
11
|
November 14, 2024
|