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(parent: 66ba29b) | patch
fixed recent bugs in LINCS for derivatives
authorBerk Hess <hess@kth.se>
Thu, 20 Dec 2012 09:09:59 +0000 (10:09 +0100)
committerBerk Hess <hess@kth.se>
Thu, 20 Dec 2012 09:16:11 +0000 (10:16 +0100)
commit4d3a2d48d7bdde9d1297230221ea2d088af0e8cc
tree01691dbe0d0ffc7fec96ecbdd28a6d6a9f439487tree | snapshot
parent66ba29b16bd066b88f06813f62f43a5233723780commit | diff
fixed recent bugs in LINCS for derivatives

The LINCS projection code, do_lincsp, working on derivatives
got OpenMP parallelization in 6585fa01, but this introduced bugs.
The constraining of derivatives of the coordinates has now been fixed
and the lambda derivatives have been added again.
Also constraining of forces now works with OpenMP.

Change-Id: Idc5516ec0e9d994a86cf8acdc7480502c8dcac1d
src/mdlib/clincs.c diff | blob | history
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