]> hackdaworld.org Git - physik/posic.git/shortlog
physik/posic.git
2008-02-17 hackbardadded run script for the rx200 cluster
2008-02-16 hackbardfixed title name
2008-02-13 hackbardrewritten state machine
2008-02-13 hackbardno DEBUG by default
2008-02-13 hackbardinitial lattice control
2008-02-13 hackbardadded insertion type controled by config.h
2008-02-13 hackbardadded DATOM definition
2008-02-12 hackbardmore structured run script (concerning visualization)
2008-02-12 hackbardextended debugging, implemented fixed position attribute
2008-02-11 hackbardpair corr calc atom data offset correction
2008-02-10 hackbardenhanced visualize script to create single images
2008-02-10 hackbardchanges to pair correlation calc code
2008-02-10 hackbardadded $1 check - removed lots of files :(
2008-02-08 hackbardfixed missing init for new atoms (especially force...
2008-02-06 hackbardincreased relaxation steps + introduced average reset...
2008-02-06 hackbardadded (sample) configuration file
2008-02-06 hackbardfloat-store bugfix (unstatisfying!) + slightly new...
2008-02-01 hackbardsome changes (still invalid pointer freed!)
2008-01-31 hackbardadded static lists (but: glibc double free prob (for...
2008-01-24 hackbardadded pair correlation calc code
2008-01-15 hackbardadding pair correlation function
2007-11-13 hackbardisecurity checkin .. .we have the diffs anyways!
2007-10-10 hackbardmore interstitial testing, added bond visualization
2007-10-09 hackbardincorporated visual functions to moldyn api
2007-10-04 hackbardadded del_atom function
2007-10-04 hackbardauto read atom count
2007-10-02 hackbardmore defines, current sic.c for calculationg interstiti...
2007-10-02 hackbardchanged default resolution
2007-10-02 hackbardchanged signes -> more intuitive!
2007-10-02 hackbardenergy_scale bug + log count bug fixed
2007-10-02 hackbard3 methods of calculating interstitial formation energies
2007-09-10 hackbardMakefile: clean everything, moldyn: add time info
2007-09-10 hackbardadded some definitions to make the testing app sic...
2007-09-10 hackbardcorrected save file open call
2007-09-10 hackbardcorrected include
2007-09-10 hackbardsome initial foo checkin of posic (posic reimplemantation)
2007-09-10 hackbardexamples/hints added
2007-09-10 hackbardnew Makefile
2007-09-10 hackbardterrible mistake! adjusted cutoff for SiC
2007-09-07 hackbardadded povconv tool to convert fron moldyn to parcs...
2007-08-17 hackbardinitial checkin for config.default (prepare new md...
2007-08-16 hackbardadded very simple delta e calc script
2007-08-16 hackbardtest without float-store compiler option
2007-08-14 hackbardmanual boundaries
2007-08-13 hackbardvisualization stuff
2007-08-02 hackbardsualization mods + adabtions
2007-07-25 hackbardchanges to visualization, not finished by now!
2007-07-23 hackbardadded postproc stuff, sic mods (today i was a lazy...
2007-07-19 hackbardsmall mods to support site energies and kinetic energie...
2007-07-17 hackbardprepared another way of carbon injection
2007-07-12 hackbardruntime schedule adding and injection of c atoms origin
2007-07-12 hackbardruntime schedule adding => hooks must be executed even...
2007-07-12 hackbard's/for/while/' <- runtime schedule adding possible now
2007-07-11 hackbardaverage calc moved, more fscking virial testing
2007-07-10 hackbardsafety checkin, gergo here!
2007-07-06 hackbardsome fixes
2007-07-05 hackbardadded fluctuation calc code
2007-07-03 hackbardchanged energy fluctuation calc and heat cap calc
2007-06-29 hackbardstill playing around with heat capacity ...
2007-06-28 hackbardcorrected random fd close
2007-06-27 hackbardpost proc stand alone tool
2007-06-27 hackbardadded post proc stuff
2007-06-27 hackbardadded still buggy post processing functions
2007-05-30 hackbardalbe force calc bug fixed, sic mods, mean virial
2007-05-22 hackbardadded albe potential (still wrong energy!)
2007-05-18 hackbardfirst sic tests
2007-05-03 hackbardput repulsive part to 3bp/j2 function
2007-05-03 hackbardfixed sign
2007-04-27 hackbardadd another way of calculating tersoff + small moldyn...
2007-03-14 hackbardimproved log/report subsystem, playing around w/ pressu...
2007-03-07 hackbardtersoff MAYBE fixed now!
2007-03-05 hackbardadded potential header files
2007-03-05 hackbardnew structure (skipped 2 inlines) same code!
2007-03-05 hackbardnew src file layout (warning: doesnt compile by now!)
2007-01-31 hackbardcreate_lattice fixes, still virial probs ...
2007-01-26 hackbardpt scaling tests, though pressure estimation still...
2007-01-25 hackbardnur foo ...
2007-01-24 hackbardstill pressure (+ fixes with cubic lattce and ho potent...
2007-01-23 hackbardadded report system, still messing around with virial...
2007-01-17 hackbard...
2007-01-15 hackbardcleaning + set hook function
2007-01-12 hackbardstill full of bugs ...
2006-12-28 hackbardbugfix dg of dV_ji,jk
2006-12-18 hackbardfoo
2006-12-17 hackbardtesting foo
2006-12-15 hackbardpot hopefully ok, doing timestep tests for 450C now ...
2006-12-15 hackbardactually just bullshit ... (added unique tag -> maybe...
2006-12-14 hackbardjust foo
2006-12-14 hackbardsync file added
2006-12-14 hackbardsafety ci
2006-12-14 hackbardinit in moldyn now
2006-12-14 hackbardnew linked list system, still a pain inthe ...
2006-12-13 hackbardbasic p control added, virial still needed!
2006-12-13 hackbardsafety checkin
2006-12-12 hackbardcheck_per_bound, comparing real numbers <- problem...
2006-12-12 hackbardfixed 2bp, todo: adjust create lattice, then go for 3bp
2006-12-12 hackbardsafety checkin
2006-12-11 hackbardscaling to fs, angstrom, amu done, probs with velocity...
2006-12-11 hackbardcompiler probs ?!? bc check ... (working with gcc-3.4)
2006-12-11 hackbardbc check probs
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