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Shifting of site coordinates in pymatgen.core.structure.Structure
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0
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189
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August 9, 2023
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Unconventional space group symbols in Materials Explorer
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2
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210
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February 22, 2024
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Parameter calculation along the run as an equal style variable
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2
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164
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August 7, 2023
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Simulation getting stuck while running in cluster
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1
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211
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August 3, 2023
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Incorrect order for some PCFF class2 terms
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5
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341
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July 27, 2023
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A disconnect between "compute pressure" and "press/berendsen" when bpm package is used in 2023 feature lammps
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35
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667
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July 20, 2023
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Potential problem for compute stress/atom
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7
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380
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July 7, 2023
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A probable mistake of WenAlloy featurizer
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3
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273
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June 27, 2023
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Matminer featurizer
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0
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296
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June 20, 2023
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Error due to 'pre no' in run command
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1
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200
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June 20, 2023
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Npt ensemble gives lower value of young modulus and stress than it should be
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1
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222
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June 16, 2023
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Neighbor lists for large systems
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7
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628
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June 15, 2023
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ERROR: Unrecognized fix style 'STORE'
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1
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278
|
June 14, 2023
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Performance Degradation in Neighbor List Construction in OPENMP Package
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7
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236
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June 5, 2023
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Python gather_bonds() error
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2
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213
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May 18, 2023
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Error in dftpy
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1
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265
|
May 8, 2023
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Bug in CommBrick::exchange_variable() function causing loss of intermediate results in buf_recv
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1
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216
|
May 8, 2023
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Abnormal value of "compute vcm/chunk"
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8
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229
|
May 1, 2023
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Cuda illegal memory access(kokkos) when using multiple GPUs
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11
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527
|
April 27, 2023
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Inconsistent results for mp-2176
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6
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402
|
February 22, 2024
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MPContribs API get_entries() gives a maximum of 100 materials
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3
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870
|
February 22, 2024
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When I try the example,i always meet "REST query returned with error status code 400 on URL"
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3
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279
|
February 22, 2024
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Ndx2group does not create a group
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2
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298
|
March 17, 2023
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Segmentation fault while reading atom's x0 value
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7
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301
|
March 4, 2023
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The induced charge density obtained by fix polarize is always 4π times less than numerical results
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7
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359
|
March 2, 2023
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"compute spin" does not give the total magnetization
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4
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163
|
March 1, 2023
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Segmentation fault upon inserting atoms during simulation
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5
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382
|
February 27, 2023
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Can not redirect some mp-id in new version Materials Project website
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4
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299
|
February 22, 2024
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Segmentation fault
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2
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284
|
February 22, 2023
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Calculating Entropy in LAMMPS :ERROR on proc 0: Neighbor list overflow, boost neigh_modify one (src/npair_full_bin.cpp:120)
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4
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491
|
February 15, 2023
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