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`ase.build.bulk` doesn't support `tetragonal`
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3
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38
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August 12, 2026
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Cohesive energy of La
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1
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40
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July 23, 2026
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Bug report on emc_setup.pl when using record
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1
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23
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July 15, 2026
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Structure.site_properties['magmom'] returns KeyError
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0
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26
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June 22, 2026
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Issue in Generating Pourbaix Diagram using mp-api
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3
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49
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June 22, 2026
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Diverging trajectories
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9
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93
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June 12, 2026
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ERROR on proc X: Failed to reallocate -Y bytes for array vector:vector (src/memory.cpp:102)
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2
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53
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June 9, 2026
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small problem with vtk files .pvtp
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4
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82
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June 4, 2026
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One or more chunks do not contain all atoms in molecule (reprise)
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8
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86
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May 29, 2026
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Bug Computation of the decomposition pathway
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2
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53
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May 22, 2026
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Kokkos cudaErrorIllegalAddress and DualView crash with fix wall/gran/kk
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2
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81
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May 20, 2026
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error in conversion of cube to xsf file
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1
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33
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May 12, 2026
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mp-776632_Li wrong
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3
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48
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June 11, 2026
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Uploaded and published datasets not accessable
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4
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40
|
April 23, 2026
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Constructed Pourbaix Diagrams from MP API are not matching with Pourbaix Diagrams from Materials Projects' Website
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3
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53
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April 16, 2026
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Fix bond/break breaks bonds and reports breakage incorrectly?
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11
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152
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March 27, 2026
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Energy becomes inf after read_dump
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5
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63
|
March 12, 2026
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Write_data records the atoms incorrectly
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3
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70
|
March 11, 2026
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Neigh_modify exclude dynamically
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4
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114
|
March 5, 2026
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No Stable Allotrope of Prometheum (Pr)
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2
|
49
|
May 31, 2026
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Simulation freezes during water insertion GCMC-MD simulation
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9
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189
|
March 2, 2026
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Issue with ASE's ORCA Output Parsing: Missing "CENTER OF MASS" Line Causes Dipole Moment Calculation Error
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0
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51
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January 11, 2026
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Missing OPLS-AA parameters for furfural and acetonitrile
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3
|
121
|
December 27, 2025
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Issues Reproducing CsPbI₃ Static Structure Factor Tutorial and Missing Example Files in dynasor Documentation
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3
|
80
|
December 8, 2025
|
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Possible issue with ShengBTE FORCE_CONSTANTS_3RD file handling
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4
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147
|
November 14, 2025
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Trying the first steps with MP's API guide.
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2
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90
|
June 11, 2026
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Fix bond/react dihedrals erroneous deletion upon non-self bond breaking
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1
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89
|
October 31, 2025
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Arrow width not showing in Displacement vectors
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2
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71
|
October 27, 2025
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Ovito for Apple silicon Mac opens large lammps file, but doesn't show any atoms
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6
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143
|
October 15, 2025
|
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Initializing Filepad with URI mode raises InvalidName error
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4
|
90
|
October 14, 2025
|