Alex Selimov
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8e924e1658
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Latest updates
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1 year ago |
Kevin C
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d6f11590f3
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fixed pycac format output to use correct atom tags, fixed mode_da syntax
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2 years ago |
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Alex Selimov
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cffb460e09
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Add periodic boundaries to metric calculation and energy to vtk out
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2 years ago |
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Alex Selimov
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59a0c18779
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Change implementation to make atom types a bit better
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2 years ago |
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Alex Selimov
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de8b4e168a
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Refactor to remove sub boxes from CACmb code, functionality was not useful and became detrimental for generation of new models
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2 years ago |
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Alex Selimov
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d9920bbef0
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Lots of accumulated fixes to various functionality with cacmb
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2 years ago |
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Alex Selimov
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1114a46c60
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Add velocity reading to pycac_out files and fix to interp_atoms
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3 years ago |
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Alex Selimov
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f0fd76f12d
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Latest working version of cacmb
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3 years ago |
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Alex Selimov
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8eac9be895
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Fix stress calculation
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3 years ago |
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Alex Selimov
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30dbd3bfc7
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Latest working version of cacmb
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3 years ago |
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Alex Selimov
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8fd45dc461
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Add all new option
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3 years ago |
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Alex Selimov
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4b9589e7b3
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Fix to dynamic allocation
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3 years ago |
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Alex Selimov
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0e41c7acc9
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Lots of updates to cacmb
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3 years ago |
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Alex Selimov
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b684e0754b
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Add mode_da and fixes to io
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3 years ago |
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Alex Selimov
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7a39612164
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Add norefine option
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3 years ago |
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Alex Selimov
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db8428113d
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Changes to restart file format
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3 years ago |
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Alex Selimov
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8298c21503
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Updates to metric and emrge and adding read_lmp
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3 years ago |
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Alex Selimov
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85135e7c95
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More compatability fixes for new version of CAC
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3 years ago |
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Alex Selimov
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2e7571cfa5
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Update to change style of restart and pycac.out files
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3 years ago |
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Alex Selimov
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fc8186f3a1
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Update to match new cac inputs/output formats
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3 years ago |
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Alex Selimov
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fa5047b735
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Fix to error checking in writing .xyz files
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4 years ago |
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Alex Selimov
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4f3d88b774
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Fix to reading and writing .xyz data
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4 years ago |
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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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4 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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4 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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4 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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4 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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4 years ago |
Alex Selimov
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4038cab76f
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Latest working changes to read-CAC
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4 years ago |
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Alex Selimov
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b3e05da6a4
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Working changes for reading .cac files
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4 years ago |
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Alex Selimov
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e6d7741060
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Working changes to io.f90
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4 years ago |
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Alex Selimov
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babf4e176d
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Current working changes
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4 years ago |
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Alex Selimov
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975e2b3fc1
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Fix to numbering on interpolated atoms
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4 years ago |
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Alex Selimov
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4868a30e57
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Added read_pycac subroutine
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4 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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4 years ago |
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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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4 years ago |
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Alex
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d670bb5083
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Working remesh command and remesh max command
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4 years ago |
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Alex
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20755270a4
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Debugging version of code
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4 years ago |
