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VASP scripts

bubbleplot3 was not created by me, see comments in code
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cheniffer committed Jul 30, 2012
0 parents commit bf7153bbba68ee6ac46336b16d45786da1ef3521
Showing with 3,905 additions and 0 deletions.
  1. +22 −0 .gitattributes
  2. +163 −0 .gitignore
  3. 0 CONTCAR.txt
  4. +172 −0 POSCAR
  5. +158 −0 VASP_plot.asv
  6. +162 −0 VASP_plot.m
  7. +170 −0 boo.txt
  8. +120 −0 bubbleplot3.m
  9. +47 −0 center.m
  10. +25 −0 check_oszicar.asv
  11. +25 −0 check_oszicar.m
  12. +43 −0 check_outcar.m
  13. BIN chgcar.mat
  14. +94 −0 contcar.m
  15. BIN copper.mat
  16. BIN fig code/benzene_pd.fig
  17. +11 −0 fig code/blah.m
  18. BIN fig code/light_on_off.fig
  19. BIN fig code/o2.fig
  20. BIN fig code/origin_plots.mat
  21. BIN fig code/photo_curr.fig
  22. BIN fig code/photo_curr.mat
  23. +66 −0 fig code/polyfit0.m
  24. BIN fig code/smoothed_photocurr_sub_dark.fig
  25. +9 −0 fig code/temp_fit.asv
  26. +12 −0 fig code/temp_fit.m
  27. BIN figs/bubbles.fig
  28. BIN figs/iso2at219_1x1x1.fig
  29. BIN figs/iso2at219_2x2x1.fig
  30. BIN figs/iso2at219_2x2x2 2.fig
  31. BIN figs/iso2at219_2x2x2.fig
  32. BIN figs/test.fig
  33. +23 −0 fscript.m
  34. BIN iso_chain.mat
  35. BIN isochain.fig
  36. +21 −0 lateral_offset.m
  37. +81 −0 lateral_script.m
  38. +102 −0 live/daqstopbutton.m
  39. +57 −0 live/demo_tmwidgets.m
  40. +28 −0 live/license.txt
  41. +289 −0 live/specgramscope.m
  42. +61 −0 live/specgramscope_documentation.m
  43. +295 −0 live/spectrumscope.m
  44. +71 −0 live/spectrumscope_documentation.m
  45. +308 −0 live/stripchart.m
  46. +74 −0 live/stripchart_documentation.m
  47. +164 −0 live/thermometer.m
  48. +55 −0 live/thermometer_documentation.m
  49. +37 −0 make_pos.m
  50. BIN new_model.mat
  51. +235 −0 peakfinder.m
  52. +20 −0 plot_all.m
  53. +72 −0 process.m
  54. +72 −0 process_chgcar.asv
  55. +71 −0 process_chgcar.m
  56. +34 −0 script.m
  57. +55 −0 supercell.asv
  58. +120 −0 supercell.m
  59. +4 −0 temp.asv
  60. +4 −0 temp.m
  61. +10 −0 tile_script.m
  62. +116 −0 view.asv
  63. +127 −0 view_cell.m
@@ -0,0 +1,22 @@
+# Auto detect text files and perform LF normalization
+* text=auto
+
+# Custom for Visual Studio
+*.cs diff=csharp
+*.sln merge=union
+*.csproj merge=union
+*.vbproj merge=union
+*.fsproj merge=union
+*.dbproj merge=union
+
+# Standard to msysgit
+*.doc diff=astextplain
+*.DOC diff=astextplain
+*.docx diff=astextplain
+*.DOCX diff=astextplain
+*.dot diff=astextplain
+*.DOT diff=astextplain
+*.pdf diff=astextplain
+*.PDF diff=astextplain
+*.rtf diff=astextplain
+*.RTF diff=astextplain
@@ -0,0 +1,163 @@
+#################
+## Eclipse
+#################
+
+*.pydevproject
+.project
+.metadata
+bin/
+tmp/
+*.tmp
+*.bak
+*.swp
+*~.nib
+local.properties
+.classpath
+.settings/
+.loadpath
+
+# External tool builders
+.externalToolBuilders/
+
+# Locally stored "Eclipse launch configurations"
+*.launch
+
+# CDT-specific
+.cproject
+
+# PDT-specific
+.buildpath
+
+
+#################
+## Visual Studio
+#################
+
+## Ignore Visual Studio temporary files, build results, and
+## files generated by popular Visual Studio add-ons.
+
+# User-specific files
+*.suo
+*.user
+*.sln.docstates
+
+# Build results
+[Dd]ebug/
+[Rr]elease/
+*_i.c
+*_p.c
+*.ilk
+*.meta
+*.obj
+*.pch
+*.pdb
+*.pgc
+*.pgd
+*.rsp
+*.sbr
+*.tlb
+*.tli
+*.tlh
+*.tmp
+*.vspscc
+.builds
+*.dotCover
+
+## TODO: If you have NuGet Package Restore enabled, uncomment this
+#packages/
+
+# Visual C++ cache files
+ipch/
+*.aps
+*.ncb
+*.opensdf
+*.sdf
+
+# Visual Studio profiler
+*.psess
+*.vsp
+
+# ReSharper is a .NET coding add-in
+_ReSharper*
+
+# Installshield output folder
+[Ee]xpress
+
+# DocProject is a documentation generator add-in
+DocProject/buildhelp/
+DocProject/Help/*.HxT
+DocProject/Help/*.HxC
+DocProject/Help/*.hhc
+DocProject/Help/*.hhk
+DocProject/Help/*.hhp
+DocProject/Help/Html2
+DocProject/Help/html
+
+# Click-Once directory
+publish
+
+# Others
+[Bb]in
+[Oo]bj
+sql
+TestResults
+*.Cache
+ClientBin
+stylecop.*
+~$*
+*.dbmdl
+Generated_Code #added for RIA/Silverlight projects
+
+# Backup & report files from converting an old project file to a newer
+# Visual Studio version. Backup files are not needed, because we have git ;-)
+_UpgradeReport_Files/
+Backup*/
+UpgradeLog*.XML
+
+
+
+############
+## Windows
+############
+
+# Windows image file caches
+Thumbs.db
+
+# Folder config file
+Desktop.ini
+
+
+#############
+## Python
+#############
+
+*.py[co]
+
+# Packages
+*.egg
+*.egg-info
+dist
+build
+eggs
+parts
+bin
+var
+sdist
+develop-eggs
+.installed.cfg
+
+# Installer logs
+pip-log.txt
+
+# Unit test / coverage reports
+.coverage
+.tox
+
+#Translations
+*.mo
+
+#Mr Developer
+.mr.developer.cfg
+
+# Mac crap
+.DS_Store
No changes.
172 POSCAR
@@ -0,0 +1,172 @@
+temp
+1.0
+0 15.3 0
+-19.8753 1.275 0
+0 0 15.3
+Cu C H N
+111 32 16 4
+Selective Dynamics
+Cartesian
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