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(parent: d873b7d) | patch
Free-energy support for LJ-PME
authorChristian Wennberg <christian.wennberg@scilifelab.se>
Tue, 11 Mar 2014 14:44:45 +0000 (15:44 +0100)
committerGerrit Code Review <gerrit@gerrit.gromacs.org>
Sat, 29 Mar 2014 21:59:52 +0000 (22:59 +0100)
commit5f59569a8dedd94aa7adfd62acc773384fa592b0
tree90a5cdf0428b1af1a397ae9414bfe79a72742580tree | snapshot
parentd873b7deb86f088eecdc20c86a03e98bcda68870commit | diff
Free-energy support for LJ-PME

Free energy calculations is now supported together with
LJ-PME.

Change-Id: I8f30bbf565d06bb10a5b6be37a3680fbd5cef6af
src/gromacs/gmxlib/nonbonded/nb_free_energy.c diff | blob | history
src/gromacs/gmxpreprocess/grompp.c diff | blob | history
src/gromacs/legacyheaders/tables.h diff | blob | history
src/gromacs/legacyheaders/types/interaction_const.h diff | blob | history
src/gromacs/mdlib/force.c diff | blob | history
src/gromacs/mdlib/forcerec.c diff | blob | history
src/gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_data_mgmt.cu diff | blob | history
src/gromacs/mdlib/pme.c diff | blob | history
src/gromacs/mdlib/tables.c diff | blob | history
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