|
Wrong name of Pourbaix Entry
|
|
4
|
41
|
September 25, 2023
|
|
Segmentation fault during simulation
|
|
4
|
93
|
August 25, 2023
|
|
Interface Reactions App not giving results last few days - no maintenance logs
|
|
3
|
47
|
August 18, 2023
|
|
Shifting of site coordinates in pymatgen.core.structure.Structure
|
|
0
|
47
|
August 9, 2023
|
|
Unconventional space group symbols in Materials Explorer
|
|
1
|
47
|
August 9, 2023
|
|
Parameter calculation along the run as an equal style variable
|
|
2
|
51
|
August 7, 2023
|
|
Simulation getting stuck while running in cluster
|
|
1
|
56
|
August 3, 2023
|
|
Incorrect order for some PCFF class2 terms
|
|
5
|
181
|
July 27, 2023
|
|
A disconnect between "compute pressure" and "press/berendsen" when bpm package is used in 2023 feature lammps
|
|
35
|
338
|
July 20, 2023
|
|
Potential problem for compute stress/atom
|
|
7
|
108
|
July 7, 2023
|
|
A probable mistake of WenAlloy featurizer
|
|
3
|
94
|
June 27, 2023
|
|
Matminer featurizer
|
|
0
|
80
|
June 20, 2023
|
|
Error due to 'pre no' in run command
|
|
1
|
70
|
June 20, 2023
|
|
Modeling Cubes with body/rounded/polyhedron produces Segmentation fault
|
|
20
|
339
|
June 20, 2023
|
|
Npt ensemble gives lower value of young modulus and stress than it should be
|
|
1
|
82
|
June 16, 2023
|
|
Neighbor lists for large systems
|
|
7
|
145
|
June 15, 2023
|
|
ERROR: Unrecognized fix style 'STORE'
|
|
1
|
140
|
June 14, 2023
|
|
Performance Degradation in Neighbor List Construction in OPENMP Package
|
|
7
|
99
|
June 5, 2023
|
|
Python gather_bonds() error
|
|
2
|
101
|
May 18, 2023
|
|
Error in dftpy
|
|
1
|
155
|
May 8, 2023
|
|
Bug in CommBrick::exchange_variable() function causing loss of intermediate results in buf_recv
|
|
1
|
91
|
May 8, 2023
|
|
Abnormal value of "compute vcm/chunk"
|
|
8
|
110
|
May 1, 2023
|
|
Cuda illegal memory access(kokkos) when using multiple GPUs
|
|
11
|
255
|
April 27, 2023
|
|
Inconsistent results for mp-2176
|
|
5
|
200
|
April 19, 2023
|
|
MPContribs API get_entries() gives a maximum of 100 materials
|
|
2
|
649
|
April 15, 2023
|
|
When I try the example,i always meet "REST query returned with error status code 400 on URL"
|
|
2
|
166
|
April 12, 2023
|
|
Ndx2group does not create a group
|
|
2
|
166
|
March 17, 2023
|
|
Segmentation fault while reading atom's x0 value
|
|
7
|
192
|
March 4, 2023
|
|
The induced charge density obtained by fix polarize is always 4π times less than numerical results
|
|
7
|
219
|
March 2, 2023
|
|
"compute spin" does not give the total magnetization
|
|
4
|
98
|
March 1, 2023
|