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added stuff to logfile
2008-02-17
hackbard
new default camera position in run script
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2008-02-17
hackbard
added run script for the rx200 cluster
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2008-02-16
hackbard
fixed title name
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2008-02-13
hackbard
rewritten state machine
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2008-02-13
hackbard
no DEBUG by default
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2008-02-13
hackbard
initial lattice control
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2008-02-13
hackbard
added insertion type controled by config.h
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2008-02-13
hackbard
added DATOM definition
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2008-02-12
hackbard
more structured run script (concerning visualization)
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2008-02-12
hackbard
extended debugging, implemented fixed position attribute
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2008-02-11
hackbard
pair corr calc atom data offset correction
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2008-02-10
hackbard
enhanced visualize script to create single images
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2008-02-10
hackbard
changes to pair correlation calc code
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2008-02-10
hackbard
added $1 check - removed lots of files :(
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2008-02-08
hackbard
fixed missing init for new atoms (especially force...
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2008-02-06
hackbard
increased relaxation steps + introduced average reset...
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2008-02-06
hackbard
added (sample) configuration file
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2008-02-06
hackbard
float-store bugfix (unstatisfying!) + slightly new...
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2008-02-01
hackbard
some changes (still invalid pointer freed!)
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2008-01-31
hackbard
added static lists (but: glibc double free prob (for...
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2008-01-24
hackbard
added pair correlation calc code
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2008-01-15
hackbard
adding pair correlation function
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2007-11-13
hackbard
isecurity checkin .. .we have the diffs anyways!
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2007-10-10
hackbard
more interstitial testing, added bond visualization
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2007-10-09
hackbard
incorporated visual functions to moldyn api
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2007-10-04
hackbard
added del_atom function
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2007-10-04
hackbard
auto read atom count
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2007-10-02
hackbard
more defines, current sic.c for calculationg interstitial...
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2007-10-02
hackbard
changed default resolution
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2007-10-02
hackbard
changed signes -> more intuitive!
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2007-10-02
hackbard
energy_scale bug + log count bug fixed
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2007-10-02
hackbard
3 methods of calculating interstitial formation energies
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2007-09-10
hackbard
Makefile: clean everything, moldyn: add time info
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2007-09-10
hackbard
added some definitions to make the testing app sic...
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2007-09-10
hackbard
corrected save file open call
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2007-09-10
hackbard
corrected include
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2007-09-10
hackbard
some initial foo checkin of posic (posic reimplemantation)
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2007-09-10
hackbard
examples/hints added
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2007-09-10
hackbard
new Makefile
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2007-09-10
hackbard
terrible mistake! adjusted cutoff for SiC
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2007-09-07
hackbard
added povconv tool to convert fron moldyn to parcs...
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2007-08-17
hackbard
initial checkin for config.default (prepare new md...
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2007-08-16
hackbard
added very simple delta e calc script
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2007-08-16
hackbard
test without float-store compiler option
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2007-08-14
hackbard
manual boundaries
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2007-08-13
hackbard
visualization stuff
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2007-08-02
hackbard
sualization mods + adabtions
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2007-07-25
hackbard
changes to visualization, not finished by now!
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2007-07-23
hackbard
added postproc stuff, sic mods (today i was a lazy...
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2007-07-19
hackbard
small mods to support site energies and kinetic energies...
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2007-07-17
hackbard
prepared another way of carbon injection
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