?  search:
summary | log | graphiclog1 | graphiclog2 | commit | commitdiff | tree | refs | edit | fork
first · prev · next
Make pull with COM from previous step work with MPI
2018-11-29 Magnus LundborgMake pull with COM from previous step work with MPI
 commit | commitdiff | tree
2018-10-16 Magnus LundborgMove gmx_ffparams_t to forcefieldparameters
 commit | commitdiff | tree
2018-10-15 Magnus LundborgEnable output of average pull force and positions.
 commit | commitdiff | tree
2018-10-03 Magnus LundborgAllow using COM of previous step as PBC reference
 commit | commitdiff | tree
2018-09-26 Magnus LundborgAdded pullCheckPbcWithinGroup() to check one group
 commit | commitdiff | tree
2018-09-25 Magnus LundborgAdd margin as input to pullGroupObeysPbcRestrictions
 commit | commitdiff | tree
2018-09-21 Magnus LundborgFixes a bug in pull group size calculation
 commit | commitdiff | tree
2018-09-07 Magnus LundborgCheck q perturbation when PME on GPU is tested
 commit | commitdiff | tree
2018-06-04 Magnus LundborgWrite lambdas and box to TNG at correct intervals
 commit | commitdiff | tree
2018-03-29 Magnus LundborgImproved check of if only forces are computed in do_pairs()
 commit | commitdiff | tree
2017-12-05 Magnus LundborgSIMD accelerated Urey-Bradley
 commit | commitdiff | tree
2017-11-18 Magnus LundborgAdded Magnus Lundborg as contributor in the manual.
 commit | commitdiff | tree
2017-11-08 Magnus LundborgUpdate to TNG v 1.8.1
 commit | commitdiff | tree
2017-10-13 Magnus LundborgDo not include headers related to ObservablesHistory
 commit | commitdiff | tree
2017-10-03 Magnus LundborgWrite atom masses and partial charges to TNG
 commit | commitdiff | tree
2017-06-11 Magnus LundborgUpdated TNG to version 1.8
 commit | commitdiff | tree
2015-12-05 Magnus LundborgWrite forces and velocities to compressed TNG.
 commit | commitdiff | tree
2015-11-30 Magnus LundborgFixed typos in output.
 commit | commitdiff | tree
2015-11-25 Magnus LundborgUse local variables instead of those in *ir.
 commit | commitdiff | tree
2015-06-24 Magnus LundborgUpdate header when appending to TNG file.
 commit | commitdiff | tree
2015-06-12 Magnus LundborgTNG version 1.7.6
 commit | commitdiff | tree
2015-05-16 Magnus LundborgTNG version 1.7.5
 commit | commitdiff | tree
2015-04-21 Magnus LundborgTNG version 1.7.3
 commit | commitdiff | tree
2014-11-24 Magnus LundborgWhen writing TNG the input must contain molecule data.
 commit | commitdiff | tree
2014-09-02 Magnus LundborgTNG Fix for GMX_DOUBLE builds and where ZLIB is not...
commit | commitdiff | tree
2014-09-02 Magnus LundborgFix data block length when uncompressing TNG data.
 commit | commitdiff | tree
2014-09-01 Magnus LundborgTNG: Handle large files on 32 bit systems.
 commit | commitdiff | tree
2014-09-01 Magnus LundborgWhen writing TNG include file closing in wallcycle.
 commit | commitdiff | tree
2014-08-21 Magnus LundborgFixed TNG memory alignment problem and reset pointers.
 commit | commitdiff | tree
2014-07-05 Magnus LundborgFix bug causing reading next frame not to stop.
 commit | commitdiff | tree
2014-07-05 Magnus LundborgFix tng_num_frame_sets_get() with no frame sets.
 commit | commitdiff | tree
2014-06-28 Magnus LundborgUpdate TNG build system
 commit | commitdiff | tree
2014-06-24 Magnus LundborgImproved check to decide if to add chain/residue.
 commit | commitdiff | tree
2014-06-19 Magnus LundborgBumped the TNG library to the latest version.
 commit | commitdiff | tree
2014-05-31 Magnus LundborgFix bug writing TNG output from dump.
 commit | commitdiff | tree
2014-05-31 Magnus LundborgBug fix in the TNG library to improve reading.
 commit | commitdiff | tree
2014-04-24 Magnus LundborgMore efficient TNG selection group creation
 commit | commitdiff | tree
2014-04-16 Magnus LundborgFixed bug inverting compression precision.
 commit | commitdiff | tree
2014-03-01 Magnus LundborgBumped TNG to latest version.
 commit | commitdiff | tree
2014-02-13 Magnus LundborgOne more bump of the TNG version.
 commit | commitdiff | tree
2014-02-13 Magnus LundborgRemoved option to use OpenMP with the TNG library.
 commit | commitdiff | tree
2014-02-12 Magnus LundborgEnable TNG builds on Windows by default.
 commit | commitdiff | tree
2014-02-12 Magnus LundborgBumped TNG to latest version.
 commit | commitdiff | tree
2014-02-11 Magnus LundborgAdded information about how to cite the TNG paper.
 commit | commitdiff | tree
2014-01-20 Magnus LundborgAdd TNG writing and reading support
 commit | commitdiff | tree
2013-10-29 Magnus LundborgFixed memory leak in gmxdump.
 commit | commitdiff | tree
2013-09-02 Magnus LundborgSet upper case of FFTW variable at the right place.
 commit | commitdiff | tree
2013-04-29 Magnus LundborgFixes "Function type U-B not implemented in ip_pert."
 commit | commitdiff | tree
The ultimate molecular dynamics simulation package