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Georgi Krastev
nomad-meta-info
Commits
402ca32f
Commit
402ca32f
authored
8 years ago
by
Henning Glawe
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QE: add metaInfo for cell mass in MD/relax simulations
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950ecf5b
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meta_info/nomad_meta_info/quantum_espresso.nomadmetainfo.json
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402ca32f
...
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@@ -654,6 +654,15 @@
"section_method"
]
},
{
"description"
:
"Mass of cell in MD/relax calculation"
,
"name"
:
"x_qe_md_cell_mass"
,
"dtypeStr"
:
"f"
,
"shape"
:
[],
"superNames"
:
[
"section_system"
]
},
{
"description"
:
"Finite E-field: direction"
,
"name"
:
"x_qe_berry_efield_direction"
,
...
...
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