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mirror feature + new std vis
[physik/posic.git]
/
vasp_tools
/
2009-09-22
hackbard
mirror feature + new std vis
tree
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commitdiff
2009-09-21
hackbard
patch to enable rotation of the constraints basis ...
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commitdiff
2009-09-21
hackbard
make stdvis more comfortable to use (at least for me)
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commitdiff
2009-09-21
hackbard
script to calculate the energy over the reaction coordinate
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commitdiff
2009-09-13
hackbard
save in src dir + app(endix)
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commitdiff
2009-09-13
hackbard
added renew feature
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commitdiff
2009-09-13
hackbard
added average feature (needs to get extended)
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commitdiff
2009-09-13
hackbard
initial positions from outcar to moldyn format
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commitdiff
2009-09-13
hackbard
pc script
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commitdiff
2009-09-13
hackbard
added a pc calc for ascci files produced by outcar2mold...
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commitdiff
2009-09-10
hackbard
total energies printed out too
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commitdiff
2009-08-26
hackbard
care for appendices
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commitdiff
2009-08-26
hackbard
a more generic trafo tool
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commitdiff
2009-08-20
hackbard
added a temp check (still sth is wrong!)
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commitdiff
2009-08-20
hackbard
more easy ...
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commitdiff
2009-08-20
hackbard
more trafo (still sth is wrong!)
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commitdiff
2009-08-20
hackbard
added trafo c code
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commitdiff
2009-08-12
hackbard
added trafo file (not working correctly by now) + mods...
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commitdiff
2009-08-07
hackbard
feature: displacement instead of time
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commitdiff
2009-08-07
hackbard
decreased output + parse all OUTCAR* files
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commitdiff
2009-08-07
hackbard
feature to fix atoms at x=0 or y=0 or z=0
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commitdiff
2009-08-05
hackbard
forgot the lattice constant
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commitdiff
2009-08-05
hackbard
convert POSCAr files to moldyn xyz output
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commitdiff
2009-07-27
hackbard
method 2 working now ...
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commitdiff
2009-07-24
hackbard
read in free taom energy ...
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commitdiff
2009-07-16
hackbard
added free energies of Si and C for 650 eV cut-off...
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commitdiff
2009-07-13
hackbard
consistent 110 direction
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commitdiff
2009-07-08
hackbard
well, sure, just increment each basis by 1 ... (should...
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commitdiff
2009-07-08
hackbard
added 3 basis types ... seems to work (checking right...
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commitdiff
2009-07-08
hackbard
added some helper tools for vasp usage
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commitdiff