Differences

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--- config:bocp [2018/09/23 10:59] – daniel
+++ config:bocp [2018/09/23 10:59] (current) – daniel
@@ Line 4: / Line 4: @@
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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.
 To enable support for this feature add the ''--enable-contrib'' command line argument to the ''waf configure'' command. e.g.: