Alex Selimov
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77ef2bd063
|
Update metric file to make it similar to the xyz file in io subroutine
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4 years ago |
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Alex Selimov
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fe3cc92bc0
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Fix problem with set_types
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4 years ago |
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Alex Selimov
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5370a5d26b
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Merge ft--disl
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4 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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1c7c028dd8
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Merge branch 'ft--group-shell' into development
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4 years ago |
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Alex Selimov
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29df0f9eb2
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Fix to opt_group which got the code working
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4 years ago |
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Alex Selimov
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2c42520102
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Restructure group code, add group shell, and add refinefill option
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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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077574ea8d
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Added disl option
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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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153b95194f
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Mode calc with tot_virial calculation
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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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0929400d19
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Merge branch 'ft--option-slip-plane' into development
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4 years ago |
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Alex Selimov
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a528dc4c52
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Final fix to get working opt_slip_plane
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4 years ago |
|
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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84a84e578a
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Working version of slip_plane ooption with effill
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4 years ago |
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Alex Selimov
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b9ce916e42
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Current working changes to option-slip-plane
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4 years ago |
|
Alex Selimov
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fa38875296
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merge changes
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4 years ago |
|
Alex Selimov
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51079148cc
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Get code working with gfortran
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4 years ago |
|
Alex Selimov
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f63335708b
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Working changes
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4 years ago |
|
Alex Selimov
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22e250093b
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Working changes. Working on the efill code
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4 years ago |
|
Alex Selimov
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b5629b1563
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Working changes to slip_plane code
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4 years ago |
|
Alex Selimov
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2ea388b82a
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Current working changes with some updates to comments for accuracy
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4 years ago |
|
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 |
|
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 |
|
Alex Selimov
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dadc1f7a4a
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Fixed the efill option to preserve interelement discontinuities
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4 years ago |
|
Alex Selimov
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c42db27f57
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Working redef box option
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4 years ago |
|
Alex Selimov
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b658202a1e
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First testing version of code
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4 years ago |
|
Alex Selimov
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fb236f4ab4
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Fix to opt_orient to preserve boundary conditions
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4 years ago |
|
Alex Selimov
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1e1c08e546
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Added group shape all to seleect all of a specific type
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4 years ago |
|
Alex Selimov
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73fca4a0d8
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Added efill zigzag code which adjusts the efill option
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4 years ago |
|
Alex Selimov
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4c75fac13c
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Working change group type command
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4 years ago |
|
Alex Selimov
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c4afde2743
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Working changes to group
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4 years ago |
|
Alex Selimov
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96e2242573
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Fix to writing pycac files
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4 years ago |
|
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 |
|
Alex Selimov
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8d939ed942
|
Merge bcc to development branch
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4 years ago |
|
Alex Selimov
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a0ecc7da90
|
Fix to problem with read-CAC due to changes in add_atom and add_element methods)
|
4 years ago |
|
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 |
|
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 |
|
Alex Selimov
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338587b7b7
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Added sphere as a possible group shape
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5 years ago |
|
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 |
|
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 |
|
Alex Selimov
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65c2b380cd
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Added flip option to group to invert group selection
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5 years ago |
|
Alex Selimov
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43025d0b67
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Quick fix to efill code
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5 years ago |
|
Alex Selimov
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aef9da49be
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Added greater range of element sizes
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5 years ago |
|
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 |
|
Alex Selimov
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e5eec7a7cd
|
Added random option which can be used to create vacancy fields
|
5 years ago |
|
Alex Selimov
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5dda0e3b81
|
Added efill option
|
5 years ago |
