]> hackdaworld.org Git - physik/posic.git/shortlog
physik/posic.git
2008-09-10 hackbardtodo init
2008-09-09 hackbardintroduced process_neighbours function
2008-09-09 hackbardoptional elment and brand type in fill cmd now
2008-09-09 hackbardmultiple save files to get pc
2008-09-01 hackbardintroduced lowmem lists
2008-09-01 hackbardfixed static lists + first work on lowmem lists
2008-09-01 hackbardsupply c2, d2, c2/d2
2008-08-31 hackbardpse handling again
2008-08-31 hackbardnew pse handling
2008-08-31 hackbardfirst attempts: parallel, albe_fast. fpu_ctrl. cleaned...
2008-08-31 hackbardnew pse handling
2008-08-31 hackbardadded optimization flags + none-module compilation...
2008-08-25 hackbardadded interval for anneal stage
2008-08-21 hackbardadded set_temp and set_timestep stages
2008-08-21 hackbardmodified bond analyze + added a script
2008-08-21 hackbardtimestep -> tau
2008-08-21 hackbardintroduced time constant in scaling methods
2008-08-20 hackbardremoved the +
2008-08-19 hackbardadded debug aattr print + initialize nnd for 'none...
2008-08-18 hackbardintroduced critical max (didn't help though!)
2008-08-18 hackbardcorrected a tab
2008-08-18 hackbardinsert mixed atoms feature added (will be renamed an...
2008-08-18 hackbardmodified runmd scripts + added pressure debug line...
2008-08-18 hackbardfixed virial (for albe pot)
2008-05-28 hackbardfixed tersoff virial calc
2008-05-28 hackbardadded 2b bond check for tersoff
2008-05-16 hackbardcorrection of fatal errors!
2008-05-13 hackbardimplemented continue featue + skipped d calc in bond_an...
2008-05-13 hackbardnew things to remember!
2008-05-09 hackbarddisplace stage type added
2008-05-09 hackbardmore precise print for t and p scaling
2008-05-09 hackbardadded display atom data tool
2008-05-07 hackbardremeber file .. wichtig
2008-05-07 hackbard1-6
2008-05-05 hackbardcentre atoms for visualization
2008-05-05 hackbardsearch bonds using infrastructure now, new visual atoms...
2008-05-05 hackbardtool to search for bonds
2008-05-03 hackbardadded position insertion method + fixed positioning
2008-04-30 hackbardadded pse file
2008-04-30 hackbarddeleted printfs
2008-04-29 hackbardstupid unit mistake prelax dp
2008-04-29 hackbardmore verbose insertion + d2 fix
2008-04-29 hackbardavgrst fix + introduced px,py,pz into moldyn (for futur...
2008-04-29 hackbardunstable but might run ...
2008-04-29 hackbardsafety checkin before mensa
2008-04-29 hackbardfixed compile errors, no testing yet!
2008-04-28 hackbardsafety checkin
2008-04-25 hackbardmdrun iinit. untested + not working by now!
2008-04-16 hackbardadapted all potential to new scheme + necessary mods...
2008-04-15 hackbardfixed bond analyze, introduced more comfortable set...
2008-04-09 hackbardintroduce a 2body bond function with callback, modified...
2008-04-05 hackbardimplemented basic p ctrl stuff + video with 13 fps
2008-04-03 hackbardoptimized force eval in k loop!
2008-02-19 hackbardchanged visualize script from angstrom to unit cell...
2008-02-18 hackbardfinished diffusion code
2008-02-18 hackbardadded diffusion code
2008-02-17 hackbardchanged state machine behaviour
2008-02-17 hackbardadded normalization to pair correlation calc
2008-02-17 hackbardadded 001 dumbbell config + user dfefined insertion...
2008-02-17 hackbardmencoder mf options
2008-02-17 hackbardstart of diffusion calc function
2008-02-17 hackbardnew default camera position in run script
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
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