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2008-02-08	hackbard	fixed missing init for new atoms (especially force...	commit \| commitdiff \| tree
2008-02-06	hackbard	increased relaxation steps + introduced average reset...	commit \| commitdiff \| tree
2008-02-06	hackbard	added (sample) configuration file	commit \| commitdiff \| tree
2008-02-06	hackbard	float-store bugfix (unstatisfying!) + slightly new...	commit \| commitdiff \| tree
2008-02-01	hackbard	some changes (still invalid pointer freed!)	commit \| commitdiff \| tree
2008-01-31	hackbard	added static lists (but: glibc double free prob (for...	commit \| commitdiff \| tree
2008-01-24	hackbard	added pair correlation calc code	commit \| commitdiff \| tree
2008-01-15	hackbard	adding pair correlation function	commit \| commitdiff \| tree
2007-11-13	hackbard	isecurity checkin .. .we have the diffs anyways!	commit \| commitdiff \| tree
2007-10-10	hackbard	more interstitial testing, added bond visualization	commit \| commitdiff \| tree
2007-10-09	hackbard	incorporated visual functions to moldyn api	commit \| commitdiff \| tree
2007-10-04	hackbard	added del_atom function	commit \| commitdiff \| tree
2007-10-04	hackbard	auto read atom count	commit \| commitdiff \| tree
2007-10-02	hackbard	more defines, current sic.c for calculationg interstitial...	commit \| commitdiff \| tree
2007-10-02	hackbard	changed default resolution	commit \| commitdiff \| tree
2007-10-02	hackbard	changed signes -> more intuitive!	commit \| commitdiff \| tree
2007-10-02	hackbard	energy_scale bug + log count bug fixed	commit \| commitdiff \| tree
2007-10-02	hackbard	3 methods of calculating interstitial formation energies	commit \| commitdiff \| tree
2007-09-10	hackbard	Makefile: clean everything, moldyn: add time info	commit \| commitdiff \| tree
2007-09-10	hackbard	added some definitions to make the testing app sic...	commit \| commitdiff \| tree
2007-09-10	hackbard	corrected save file open call	commit \| commitdiff \| tree
2007-09-10	hackbard	corrected include	commit \| commitdiff \| tree
2007-09-10	hackbard	some initial foo checkin of posic (posic reimplemantation)	commit \| commitdiff \| tree
2007-09-10	hackbard	examples/hints added	commit \| commitdiff \| tree
2007-09-10	hackbard	new Makefile	commit \| commitdiff \| tree
2007-09-10	hackbard	terrible mistake! adjusted cutoff for SiC	commit \| commitdiff \| tree
2007-09-07	hackbard	added povconv tool to convert fron moldyn to parcs...	commit \| commitdiff \| tree
2007-08-17	hackbard	initial checkin for config.default (prepare new md...	commit \| commitdiff \| tree
2007-08-16	hackbard	added very simple delta e calc script	commit \| commitdiff \| tree
2007-08-16	hackbard	test without float-store compiler option	commit \| commitdiff \| tree
2007-08-14	hackbard	manual boundaries	commit \| commitdiff \| tree
2007-08-13	hackbard	visualization stuff	commit \| commitdiff \| tree
2007-08-02	hackbard	sualization mods + adabtions	commit \| commitdiff \| tree
2007-07-25	hackbard	changes to visualization, not finished by now!	commit \| commitdiff \| tree
2007-07-23	hackbard	added postproc stuff, sic mods (today i was a lazy...	commit \| commitdiff \| tree
2007-07-19	hackbard	small mods to support site energies and kinetic energies...	commit \| commitdiff \| tree
2007-07-17	hackbard	prepared another way of carbon injection	commit \| commitdiff \| tree

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