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Help with error when using API to generate various surfaces
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7
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164
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April 16, 2020
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Problem with angle calculation
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5
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124
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April 14, 2020
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High throughput way for crystal structure visualization?
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3
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120
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April 1, 2020
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How can I solve this scaling issue when using a structure transformation?
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5
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175
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March 30, 2020
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Convert fractional to cartesian using get_cartesian_coords in pymatgen.core.lattice
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6
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145
|
March 25, 2020
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Nearest Neighbor, API
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9
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302
|
March 14, 2020
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How to use regular expression capabilities in pymatgen query function?
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2
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94
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March 13, 2020
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[bug] SpaceGroup object grabbing incorrect information
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3
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107
|
March 13, 2020
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Symmetry equivalent positions as xyz from CIF
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1
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109
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February 29, 2020
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Calculate the formation enthalpy for a phase
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1
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109
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February 28, 2020
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Convert structure to cif file
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1
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112
|
February 25, 2020
|
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Handling isotopes
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3
|
109
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February 22, 2020
|
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Passing structure to the GulpIO class
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1
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111
|
February 6, 2020
|
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Write_file doesnt write manipulated PWInput structures correctly
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1
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106
|
January 29, 2020
|
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Definition of "Initial Structure" for experimental structures
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7
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159
|
January 29, 2020
|
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Hash failure for POTCAR
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13
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686
|
January 28, 2020
|
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How can I collect the same dataset before change of database system
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7
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277
|
January 24, 2020
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POTCAR Setup failure on windows
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3
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126
|
January 24, 2020
|
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How to remove warning bandgap data
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3
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147
|
January 24, 2020
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Build solid-solid interface without a vacuum layer
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1
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93
|
January 21, 2020
|
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Finding the electron configuration of an ion
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3
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186
|
January 10, 2020
|
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Pymatgen strange mendeleev numbers
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3
|
191
|
January 10, 2020
|
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Open mol file error
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2
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125
|
January 9, 2020
|
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How to generate the VASP input files by using pymatgen
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3
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358
|
December 26, 2019
|
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How to Replace the "_atom_site_label" into the Atomic charges?
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1
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130
|
December 26, 2019
|
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A problem about OrderDisorderedStructure
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1
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193
|
December 6, 2019
|
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How do I use the molecule_matcher function?
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4
|
138
|
December 4, 2019
|
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How do I change colors in DOSPlotter?
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2
|
138
|
December 3, 2019
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Remove one specie from cif files
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2
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131
|
December 3, 2019
|
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Choosing which set of AdsorbateSiteFinder sites to use
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4
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168
|
November 27, 2019
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