Make parameter assignment args const char* and reduce strcpy
[namd.git] / src / Parameters.C
2019-05-03 Jim PhillipsMake parameter assignment args const char* and reduce... 63/5163/1
2018-11-02 Jim PhillipsFix error from copying uninitialized angle parameters... 66/4766/2
2017-10-05 DavidFixed some bugs introduced by POWER commit 10/3110/1
2017-03-31 Jim PhillipsOnly modify dihedral/improper multiplicity from psf...
2015-06-02 Jim PhillipsRead NBFIX modified 1-4 terms from CHARMM parameter...
2015-01-28 Jim Phillipsignore ioformat statement in CHARMM parameter files
2013-11-20 Jim PhillipsNew Go GromacsPair implementation from Jonathan Lai.
2013-01-28 Jim PhillipsFrom Lei Huang: Remove possibility for NBTHOLE to alter...
2011-10-19 Jim PhillipsIgnore new ATOMS section in CHARMM parameter files.
2011-04-29 Jim PhillipsNonbonded Thole term for Drude force field, from patch...
2011-03-08 Jim PhillipsMake cos angle flag case-insensitive.
2011-02-03 Chris HarrisonAdds output of atom indices to 'missing parameters...
2010-11-30 Jim PhillipsCast to eliminate "integer conversion resulted in a...
2010-08-04 Jim PhillipsIgnore (but warn about) missing angle and dihedral...
2010-05-21 David Hardysupport wildcard matches for Drude bond parameters
2010-04-15 Jim PhillipsFix uninitialized numenerentries when using amber param...
2009-11-20 Robert BrunnerReplaced nearbyint() with mynearbyint macro, for compat...
2009-11-12 Jim PhillipsFix memopt builds.
2009-11-11 Jim Phillipsremove debugging output
2009-10-27 Robert BrunnerAdded tabulated potential code from Peter Freddolino...
2009-02-11 Chao MeiInterface changes for send_SimParameters/Parameters...
2008-12-05 Peter FreddolinoFix initialization of cosangles flag when using amber...
2008-07-20 Peter FreddolinoAdd flag to allow the use of cosine-based angle terms...
2007-03-16 Chao MeiChanges due to splitting mass/charge fields from the...
2006-08-19 Jim PhillipsBug fix. Initialize crossterm arrays to NULL so that...
2006-08-15 Jim PhillipsRead CHARMM31 stream parameter/topology files (ignore...
2006-08-15 Jim PhillipsAdded support for "CMAP" crossterms from CHARMM31 force...
2006-06-07 Jim PhillipsJustin's new pressure profile patch.
2006-06-05 Jim PhillipsChanged cout and endl to std::cout and std::endl
2005-10-19 Jim PhillipsChange sign of phase shift to match definition in CHARM...
2005-10-14 Gengbin Zhengminor change to work around a compiler bug with gcc...
2002-12-18 Justin GullingsrudOops - go ahead and print a warning about replacing...
2002-12-18 Justin GullingsrudEliminated spurious warning messages when reading Charm...
2002-12-18 Justin GullingsrudSearch and replace tabs with eight spaces.
2002-07-29 Justin GullingsrudFixed some UMR's uncovered by Valgrind.
2002-04-30 Jim PhillipsIsolated triplicate pointer/counter initialization...
2002-04-30 Jim PhillipsCleaned up vdw_array initialization.
2002-02-12 Jim PhillipsFree energy perturbation from Chris Chipot and Surjit...
2001-10-10 Paul GraysonThis gives NAMD the ability to load GROMACS topology...
2001-06-13 Fangqiang ZhuAMBER file compatibility.
2001-05-29 Jim Phillipsfixed max multiplicity (again, no uses macro)
2000-07-14 Jim PhillipsImproved assignment of dihedral parameters, but still...
2000-03-24 Jim PhillipsChanges for NT port.
2000-03-02 Jim PhillipsIgnore VDW params w/ -'ve epsilon.
2000-02-10 Jim PhillipsMajor cleanup.
1999-10-22 Jim PhillipsEliminated repeated warnings about wildcard parameters.
1999-09-29 Jim PhillipsRecognizes nbon as well as nonb in CHARMM format parame...
1999-09-24 Jim PhillipsCleaned up initial comments and copyright notice.
1999-09-24 Jim PhillipsRemoved RCS logs and dead files.
1999-06-18 Jim PhillipsFixed bug in xplor-style hbond reading.
1999-03-17 Jim PhillipsAdded synonyms for angle, dihe, impr for charm19 parame...
1999-02-10 Ferenc Molnarsecond argument of pow needs to be a real for kcc!
1999-02-02 Ferenc MolnarAdded support for CHARMM parameter format in parameter...
1998-12-28 Jim PhillipsEliminated unnecessary intPtr and RealPtr typedefs.
1998-10-24 Jim PhillipsEliminated warnings generated by g++ -Wall.
1998-09-13 Jim PhillipsCleaned up output, defaults, etc.
1997-10-01 Milind BhandarkarRemoved old NAMD1 messaging and replaced it with new...
1997-04-07 Neal KrawetzChanged fclose() to Fclose() (found in common.[Ch]...
1997-04-03 Neal Krawetz1) New Fopen() which handles .Z and .gz files.
1997-03-20 Neal KrawetzAdded "\n" before endi in iout statements.
1997-03-19 Aritomo ShinozakiAdd Broadcast mechanism.
1997-02-06 Aritomo ShinozakiResetting CVS to merge branches back into the main... development-2
1997-01-28 Aritomo Shinozakiinternal release uplevel to 1.778
1997-01-17 Aritomo ShinozakiInternal CVS leveling release. Start development code... development-0
1996-11-11 Neal KrawetzModified to use InfoStream instead of Inform.
1996-10-31 Jim Phillipssmall changes to support LJTable
1996-08-16 Aritomo Shinozaki*** empty log message ***
1996-08-16 Aritomo Shinozaki*** empty log message ***
1996-08-06 Aritomo ShinozakiInitial revision