Menu

SVN archive Commit Log


Commit Date  
[r28267] by bugman

Backported the relax 4.0.3 CHANGES file changes to trunk.

The command used was:
svn merge -r28265:28266 svn+ssh://bugman@.../svn/relax/tags/4.0.3 .

2016-10-28 10:34:05 Tree
[r28266] by bugman

Updated the CHANGES file for relax 4.0.3.

2016-10-28 10:32:26 Tree
[r28265] by bugman

Added the relax 4.0.3 manual to the repository.

2016-10-28 09:04:29 Tree
[r28264] by bugman

Updated the version number to relax 4.0.3.

2016-10-28 08:53:49 Tree
[r28263] by bugman

relax version 4.0.3.

This is a minor feature and bugfix release. The structure.rmsd user function can now calculate
per-atom RMSDs, structure superimposition is now orders of magnitude faster, the relax deployment
scripts have been improved and expanded to cover other GNU/Linux systems, OpenMPI system testing
scripts have been added, and the relax information printout has been improved. Bugfixes include
that the structure.rmsd user function now correctly calculates the RMSD value, and the inversion
recovery relaxation curve-fitting equations are now correct.

2016-10-28 08:42:19 Tree
[r28262] by bugman

Added support in the information printout for Windows versions of the 'file' program.

This enables the C modules to be identified as 32 or 64-bit, if the 'file' program is installed.

2016-10-27 10:48:18 Tree
[r28261] by bugman

Windows scons C module compilation now defaults to 32-bit.

This is because the default Python downloads are 32-bit. And many libraries (e.g. numpy and scipy)
are only pre-compiled as 32-bit. Hence a 64-bit relax build on Windows will require a lot of custom
compilation that most users will never do.

2016-10-27 10:35:53 Tree
[r28260] by bugman

Added the MPI version information to the mpi4py information printout.

2016-10-27 08:15:06 Tree
[r28259] by bugman

Set the svn:executable property on the OpenMPI installation testing scripts.

2016-10-04 14:35:02 Tree
[r28258] by tlinnet

Try to make the script for TCSH and openmpi working on all
versions of TCSH.

2016-10-03 18:11:31 Tree
Older >
Want the latest updates on software, tech news, and AI?
Get latest updates about software, tech news, and AI from SourceForge directly in your inbox once a month.