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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| ~~NOTOC~~ | ~~NOTOC~~ | ||
| ====== 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
