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GiovanniBussi committed Feb 28, 2018
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Expand Up @@ -170,3 +170,8 @@ For users:
- Resolved a problem with \ref CS2BACKBONE and glycine atom names.
- Module VES: Fixed a bug with basis functions that have a constant function different from 1 (e.g. scaled version of the Legendre basis functions, \ref BF_LEGENDRE) that was causing a time-dependent shift in the bias potential.
- Module VES: In optimizers (\ref OPT_AVERAGED_SGD and \ref OPT_DUMMY) the output of quantities related to the instantaneous gradients are now off by default as these quantities are generally not useful for normal users, their output can instead by re-enabled by using the MONITOR_INSTANTANEOUS_GRADIENT keyword. Also added an keyword MONITOR_AVERAGE_GRADIENT that allows to monitor the averged gradient and output quantities related to it.

For developers:
- `plumed patch -p` command can be used twice without triggering an error. This will allow e.g. building again
on MacPorts in cases where the build for interrupted. Notice that this only works for patches without special
after/before patch/revert.

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