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David van der Spoel

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10/11/2018

06:45 PM GROMACS Bug #2666 (Resolved): anaeig is not calculating entropy using the quasiharmonic formula anymore
Applied in changeset commit:75aa9b8888e058fc759390b84488c82fed8edbf0.
04:54 PM GROMACS Revision 75aa9b88: Reinstated quasiharmonic entropy calculation in gmx anaeig.
Fixes #2666.
Change-Id: I42b537127c6fcefa90345a444ff6410e527cd0e6
04:12 PM GROMACS Revision df7710ee: Updated
Change-Id: Ic37bd7e476cc9fc5ad775598c6e2699945601164
07:29 AM GROMACS Revision b76e2268: Disabled hyperpolarization
Change-Id: I4321e97532d422d8dd4ae8226812a8e8b331f2c3
07:01 AM GROMACS Revision 8da3dfbf: Reduced tolerance for coulomb integral tests
Change-Id: I0a5d5541ac81166e4637dcac1db3f103f5eb4011
06:55 AM GROMACS Revision 4c384f7e: Reinstated default pdbio.cpp file
Change-Id: I85daf220ca5c6a674dd5a9877832b9b4b76ba9b6

10/10/2018

10:08 PM GROMACS Revision ec88e22e: Forced usage of gmx_nb_generic kernel
Change-Id: I6cf3e1916e5981c7f038bc615d8f8593489432d1
07:28 PM GROMACS Revision f9577374: Updated large distance tests to prevent overflow
Change-Id: I9d35e8f1c5e796171c5e2fcb8506246d31aff1c0

10/08/2018

09:53 PM GROMACS Revision 9b794cb8: Updated code for single precision compilation
Change-Id: I1a5316fc750ae15e0ae0ccf7a012cc23dacfced2

10/07/2018

11:05 AM GROMACS Revision 40944213: New fatal errors
Change-Id: I0aca9564d5d51f410fa7df7395e4755409b30476

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