Alex Selimov
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f92e80f9db
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Added fixes to redef_box and to writing pycac restart files
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4 years ago |
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Alex Selimov
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0620a07847
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Added some calc and metric changes
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4 years ago |
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Alex Selimov
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4dcaddb2cb
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Manual merge of control box code
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4 years ago |
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Alex Selimov
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068b5d99a9
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Fix to gfortran compatibility
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4 years ago |
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Alex Selimov
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6e08517697
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Working continuum metric calculation code
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4 years ago |
Alex Selimov
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95e2ad0b4d
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Current working changes to control-box code
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4 years ago |
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Alex Selimov
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5949f04103
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Working read from pycac.out file format
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4 years ago |
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Alex Selimov
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96e2242573
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Fix to writing pycac files
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4 years ago |
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Alex Selimov
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724e573287
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Added deform box option and allowed for reading time information from restart files
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4 years ago |
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Alex Selimov
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8d939ed942
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Merge bcc to development branch
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4 years ago |
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Alex Selimov
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a0ecc7da90
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Fix to problem with read-CAC due to changes in add_atom and add_element methods)
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4 years ago |
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Alex Selimov
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2fda952d3f
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Merge read-cac branch into main branch
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4 years ago |
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Alex Selimov
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a47c384a3f
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Added tags to the element and atom arrays
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4 years ago |
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Alex Selimov
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b52d7761e0
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First working version of reading in .cac format. Works for two separate orientations
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5 years ago |
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Alex Selimov
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d01d0b0c57
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Quick fix to code to allow for reading in larger numbers of esizes
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5 years ago |
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Alex Selimov
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080f19d644
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Update .xyz file format to include element and atom files
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5 years ago |
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Alex Selimov
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32ab5a6058
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Added basic basis functionality to code
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5 years ago |
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Alex Selimov
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3a59b23be7
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Working bcc crystal structure when viewing in .lmp or .vtk format
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5 years ago |
Alex Selimov
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4038cab76f
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Latest working changes to read-CAC
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5 years ago |
|
Alex Selimov
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b3e05da6a4
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Working changes for reading .cac files
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5 years ago |
|
Alex Selimov
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e6d7741060
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Working changes to io.f90
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5 years ago |
|
Alex Selimov
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babf4e176d
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Current working changes
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5 years ago |
|
Alex Selimov
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975e2b3fc1
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Fix to numbering on interpolated atoms
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5 years ago |
|
Alex Selimov
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4868a30e57
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Added read_pycac subroutine
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5 years ago |
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Alex Selimov
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9038242b98
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Changes to how the io works for writing restart and merging
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5 years ago |
|
Alex Selimov
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27faeee5ea
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Working code which picks random position slightly outside element bounds
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5 years ago |
|
Alex
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d670bb5083
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Working remesh command and remesh max command
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5 years ago |
|
Alex
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20755270a4
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Debugging version of code
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5 years ago |
|
Alex Selimov
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9702ec85e9
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Added set max esize when reading in specific files
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5 years ago |
|
Alex Selimov
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44efb4be4a
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Added orient and unorient options
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5 years ago |
|
Alex Selimov
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4117f31cb6
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Small fix to writing to restart format
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5 years ago |
|
Alex
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dc42b7b925
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Separated wrap option to reduce opy and pasted code. Fixed warnings and added wrapping when inserting a dislocation or loop
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5 years ago |
|
Alex Selimov
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a942b8e2a1
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Added -ow option which allows for automatic overwriting
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5 years ago |
|
Alex Selimov
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9ebdfff0a1
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Added print messages to let user know whats going on
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5 years ago |
|
Alex Selimov
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0d2a351cd5
|
Fix to disl_gen. Problems with sub_box_bd and element dislocation displacement field
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5 years ago |
|
Alex
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347b73054b
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Added group option and shift command
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5 years ago |
|
Alex
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f80045058f
|
quick fix to bug to write pycac format
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5 years ago |
|
Alex Selimov
|
12aa13b94b
|
Fixes to element definitions
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5 years ago |
|
Alex Selimov
|
cde96402e2
|
Working shift command for merge
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5 years ago |
|
Alex Selimov
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849da1d24a
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Changes to how the adjustment to nodal positions is performed for lammpscac output
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5 years ago |
|
Alex Selimov
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c89b7d3b59
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Merge branch 'ft--opt-dislloop' into development
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5 years ago |
|
Alex Selimov
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fbae3a1594
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Working version of CACmb capable of building simple models for lammpsCAC
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5 years ago |
|
Alex Selimov
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d09ebfa7e0
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Merge branch 'development' into ft-write-lammpscac
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5 years ago |
|
Alex Selimov
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20546dc267
|
Actual dislocation loop generation algorithm alongside dislgen command
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5 years ago |
|
Alex
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d0e6253d64
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Working commit for dislocation generation branch
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5 years ago |
|
Alex Selimov
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b3a9577cc2
|
Added writing to pycac restart file format
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5 years ago |
|
Alex Selimov
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b0941e4482
|
Fixes to file reading to ensure that mode_merge works correctly
|
5 years ago |
|
Alex
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3c7461f094
|
Added mode merge, adjusted how file reading works to accomodate model merge
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5 years ago |
|
Alex Selimov
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d624e6ed5d
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Added mode_convert and documentation. Created new .mb filetype which contains all necessary information for operating on simulation cells. Created framework for reading in data files, right now only .mb style files
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5 years ago |
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Alex Selimov
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fa1cb6ce58
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Fixes to mode_create, moved basis_pos from elements to mode_create, added the mb file output style
|
5 years ago |
