added fn prototypes; eliminated more warnings

updated code to remove compiler warnings

added WIN32 support

warnings

printf( to fprintf(pcmlogfile,

updated mmff94.prm with generalized constants

added extra blank lines to write_sdf

added number of connections and total bond order to atom definition in preparation for AM1BCC code

added charge-charge routines

added code for amber energy functions

added monitor tag and timer code to minimizer

more atom localization

further cleanup and localization of atom data

fixed read_sdf to use tabulator for electrostatics keyword, added read of dielectric constant

KEG_OPENMP ext

add job_contro.h

full dynamic memory allocation of molecule

major rewrite - removing global data, adding electrostatics tag to read_sdf

combine rings and srings to eliminate duplication

cleanup of k*.c parameter assignment routines

cleanup and removal of amber and opls

code cleanup

resolved problem in read_sdf, removed omp pragma in ehal

fixed spurious debug output

fixed corruption in mengine.c and bug in ehal.c

rewrote ehal to remove pow(x,y) function call

more cleanup and code removal

win32 fixes

win32 fixes

preproc

fixes in typeing to pass MMFF validation suite

stdin redirection

fixed typing errors - mmff test suite a to c

added aromatic bonds in read_sdf removed TJO bailout

added call to type in rd_sdf, fixed problem in type_mmx

fixed bug in routine to recognize delocalized bonds in kbond.c

updated read_sdf type_mmx and first pass at using best practices

fixed typos

minor

minor change

deleting old h files

code merge 20081130

osx doesn't like install -D, but mingw and linux need -D (for licenses/ file)

changes for mingw

changes for mingw

Makefile.in now cleans Makefile

first check in of pdb2pqr

Add modification notice to files modified for Freemol
per mengine/smi23d license requirements

install licenses too

add mengine license file

readd apbs files after mixup

housekeeping

make apbs executable apbs.exe

first commit of APBS

tweak installation scripts

remove include malloc.h for osx compatibility

Don't write_sdf when missing parameters or other errors

correct python script to use mengine.exe

When aromatic bonds are encountered generate error on stderr and do not output sdf file.

add files for configure and make

move mengine src to reflect new freemol directory structure

changes for win32

initial checkin of mpeg_encode source