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• Code committed

  committed patchset 32 of module xmd-2.5 to the xmd CVS repository, changing 1 files

  posted by jrifkin 69 days ago

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  committed patchset 31 of module xmd-2.5 to the xmd CVS repository, changing 2 files

  posted by jrifkin 69 days ago

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  jrifkin committed patchset 30 of module xmd-2.5 to the xmd CVS repository, changing 12 files

  posted by jrifkin 76 days ago

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  jrifkin committed patchset 29 of module xmd-2.5 to the xmd CVS repository, changing 3 files

  posted by jrifkin 76 days ago

• Code committed

  jrifkin committed patchset 28 of module xmd-2.5 to the xmd CVS repository, changing 1 files

  posted by jrifkin 104 days ago

• Code committed

  jrifkin committed patchset 27 of module xmd-2.5 to the xmd CVS repository, changing 3 files

  posted by jrifkin 104 days ago

• Code committed

  jrifkin committed patchset 26 of module xmd-2.5 to the xmd CVS repository, changing 9 files

  posted by jrifkin 104 days ago

• Code committed

  jrifkin committed patchset 25 of module xmd-2.5 to the xmd CVS repository, changing 2 files

  posted by jrifkin 104 days ago

• Code committed

  jrifkin committed patchset 24 of module xmd-2.5 to the xmd CVS repository, changing 1 files

  posted by jrifkin 122 days ago

• strain strain-1.1 file released: strain-1.1.tgz

  # 2007-07-31 8:25 am Finish calc_strain() # 2007-08-04 11:09 am (x) Code matrix.eigen subroutine. # (x) Use SingularMarix exception in matrix3.py. # (x) Convert R to axis,angle # (x) Calculate overall fit. # 2007-08-05 (x) Write command line interface. # (x) Convert R to axis polar angles. # (x) Make no header option (-h) # (x) Make efficient neighbor function. # (x) Apply boundary conditions # (x) Use boundary conditions in nlist. # (x) Adjusted jcell calculation. # (x) Adjust rsq calculation. # (x) Read 'box x x x' from file # (x) Apply box to calc_strain() # 2007-08-12 # (x) Read cor files. # (_) Read rcv files. # (_) Test large lattice (1000+) with shift # boundary. # 2007-09-01 Added option to apply_boundary() called origin, # which translates input particles so that # coordinates of origin become 0,0,0. # # Using this option causes the calculated # displacement to not include the bulk motion # of the atoms. Currently, we do not use it. # 2009-04-14 - When taking sqrt() of evalues, set negative # arguments to 0, because typically these # negative values are due to roundoff-error, this # prevents taking the sqrt() of negative values. # - The read_any_file() returned a tuple of coordx3 # tuples, changed it to a tuple of coordx3 lists so that # their values change change when they are wrapped for # repeating boundary conditions. # - Updated test output file strain.out.orig to account # for sign changes (-0.0 went to 0.0) due to sqrt() # change above.

  posted 258 days ago