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Illegal fix reax/c/species command
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4
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22
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October 28, 2021
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Results from previous Firework's mod_spec lost after detour
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1
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37
|
October 27, 2021
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Suggestions for atoms.set_angle() method
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1
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24
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October 25, 2021
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Exciting DOS for gold does not match FHI-aims and VASP
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14
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95
|
October 22, 2021
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New issues with materialsvirtuallab notebook and cohesive energy
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2
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74
|
October 19, 2021
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VTK package source files seem to have had syntax errors introduced?
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2
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32
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October 17, 2021
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Fix deform screw restarts and what to do with it?
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6
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88
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September 11, 2021
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Support for nested array & dict in DictMod of fireworks?
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0
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47
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September 10, 2021
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Pair_style hybrid molecular spin
|
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1
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37
|
September 10, 2021
|
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CIF of cubic TiB
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1
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94
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September 8, 2021
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Wf_dielectric_constant fails with KeyError: 'piezo_ionic_tensor' after relaxation
|
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7
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111
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August 23, 2021
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Fix print timestep variable returned a bad timestep
|
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8
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101
|
August 22, 2021
|
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Certain materials seem to be unavailable
|
|
7
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93
|
August 21, 2021
|
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Cerium and Holmium entries give 500 error
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2
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72
|
August 17, 2021
|
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GPU acceleration
|
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2
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74
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August 11, 2021
|
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MPContribs API get_entries() gives a maximum of 100 materials
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1
|
56
|
August 10, 2021
|
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Getting LDAU-related parameters from Vasprun.parameters
|
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4
|
91
|
July 20, 2021
|
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Force on wall/lj93 does not change with time
|
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3
|
64
|
June 5, 2021
|
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Offline mode not usable: raise TypeError: Object of type VaspJob is not JSON serializable
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0
|
81
|
May 27, 2021
|
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Insertion Worflow optimizefw_kwargs Issue
|
|
11
|
132
|
May 28, 2021
|
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Is it a bug or just something I need to do when use plot_slab function?
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1
|
195
|
May 25, 2021
|
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A command in the source code file "Fix_ttm_mod.cpp "
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2
|
82
|
May 7, 2021
|
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Lammps+kokkos running on single gpu only
|
|
15
|
113
|
April 26, 2021
|
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Cannot set job priority with qadapter
|
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2
|
93
|
April 22, 2021
|
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Bug in downloading Pourbaix Diagram
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|
3
|
78
|
April 22, 2021
|
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Question to fix atom/swap function
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|
4
|
186
|
April 22, 2021
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