config:bocp
Differences
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config:bocp [2018/09/19 17:43] – ↷ Page moved and renamed from box_of_contributing_particles to config:bocp daniel | config:bocp [2018/09/23 10:59] (current) – daniel | ||
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====== Box of Contributing Particles ====== | ====== Box of Contributing Particles ====== | ||
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- | With this option it is possible to include only some atoms of a configuration in the optimization. This only affects forces; energies and stresses will **ALWAYS** be included. | + | With this option it is possible to include only some atoms of a configuration in the optimization. This only affects forces; energies and stresses will **ALWAYS** be calculated for the entire configuration. |
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+ | To enable support for this feature add the '' | ||
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+ | < | ||
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+ | ---- | ||
Currently there are two different possibilities to specify the atoms - they have to be either in a box or a sphere. | Currently there are two different possibilities to specify the atoms - they have to be either in a box or a sphere. |
config/bocp.1537371792.txt.gz · Last modified: 2018/09/19 17:43 by daniel