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root/freemol/trunk/src/mengine/src
r111
File Last Change (rev)
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kvdw.c 111 (11 years ago) by gilbertke: more atom localization
pcwin.h 111 (11 years ago) by gilbertke: more atom localization
pcmod.h 111 (11 years ago) by gilbertke: more atom localization
ktorsion.c 111 (11 years ago) by gilbertke: more atom localization
kcharge.c 111 (11 years ago) by gilbertke: more atom localization
ksolv.c 111 (11 years ago) by gilbertke: more atom localization
kopend.c 111 (11 years ago) by gilbertke: more atom localization
pcm7.c 111 (11 years ago) by gilbertke: more atom localization
ehal.c 110 (11 years ago) by gilbertke: further cleanup and localization of atom data
xlogp.c 110 (11 years ago) by gilbertke: further cleanup and localization of atom data
read_sdf.c 110 (11 years ago) by gilbertke: further cleanup and localization of atom data
torsions.c 110 (11 years ago) by gilbertke: further cleanup and localization of atom data
gmmx_run.c 110 (11 years ago) by gilbertke: further cleanup and localization of atom data
draw.c 110 (11 years ago) by gilbertke: further cleanup and localization of atom data
vibrate.c 110 (11 years ago) by gilbertke: further cleanup and localization of atom data
rings.c 110 (11 years ago) by gilbertke: further cleanup and localization of atom data
esolv.c 110 (11 years ago) by gilbertke: further cleanup and localization of atom data
vibrate.h 110 (11 years ago) by gilbertke: further cleanup and localization of atom data
read.c 110 (11 years ago) by gilbertke: further cleanup and localization of atom data
numeral.c 110 (11 years ago) by gilbertke: further cleanup and localization of atom data
utility.c 110 (11 years ago) by gilbertke: further cleanup and localization of atom data
active.c 110 (11 years ago) by gilbertke: further cleanup and localization of atom data
get_mem.c 110 (11 years ago) by gilbertke: further cleanup and localization of atom data
Makefile 108 (11 years ago) by wdelano:
estrbnd.c 105 (11 years ago) by gilbertke: add job_contro.h
eobpw.c 105 (11 years ago) by gilbertke: add job_contro.h
attach.c 105 (11 years ago) by gilbertke: add job_contro.h
rings.h 105 (11 years ago) by gilbertke: add job_contro.h
mengine.c 105 (11 years ago) by gilbertke: add job_contro.h
eangle.c 105 (11 years ago) by gilbertke: add job_contro.h
ebond.c 105 (11 years ago) by gilbertke: add job_contro.h
pcmsiz.h 105 (11 years ago) by gilbertke: add job_contro.h
job_control.h 105 (11 years ago) by gilbertke: add job_contro.h
angles.c 105 (11 years ago) by gilbertke: add job_contro.h
kstrbnd.c 105 (11 years ago) by gilbertke: add job_contro.h
angles.h 105 (11 years ago) by gilbertke: add job_contro.h
bonds_ff.h 105 (11 years ago) by gilbertke: add job_contro.h
pcmwin2.c 105 (11 years ago) by gilbertke: add job_contro.h
initiali.c 104 (11 years ago) by gilbertke: full dynamic memory allocation of molecule
type_mmx.c 104 (11 years ago) by gilbertke: full dynamic memory allocation of molecule
energies.h 103 (11 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
dipmom.c 103 (11 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
dipmom.h 103 (11 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
ebufchrg.c 103 (11 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
minimize.c 103 (11 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
tncg.c 103 (11 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
pcmwin1.c 103 (11 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
egeom.c 103 (11 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
etorsion.c 103 (11 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
kbond.c 103 (11 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
pot.h 103 (11 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
readprm.c 103 (11 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
nonbond.h 103 (11 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
search.c 103 (11 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
field.c 103 (11 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
field.h 103 (11 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
kangle.c 103 (11 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
solve.c 103 (11 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
asnsym.c 103 (11 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
datastat.c 97 (11 years ago) by gilbertke: cleanup and removal of amber and opls
draw.h 97 (11 years ago) by gilbertke: cleanup and removal of amber and opls
read_pcm.c 97 (11 years ago) by gilbertke: cleanup and removal of amber and opls
hess.h 63 (12 years ago) by gilbertke: updated read_sdf type_mmx and first pass at using best practices
asnsym.h 63 (12 years ago) by gilbertke: updated read_sdf type_mmx and first pass at using best practices
attached.h 63 (12 years ago) by gilbertke: updated read_sdf type_mmx and first pass at using best practices
derivs.h 58 (12 years ago) by wdelano: code merge 20081130
mmxconst.h 58 (12 years ago) by wdelano: code merge 20081130
fix.h 58 (12 years ago) by wdelano: code merge 20081130
tabulator.h 58 (12 years ago) by wdelano: code merge 20081130
mmff94.h 58 (12 years ago) by wdelano: code merge 20081130
LICENSE.txt 43 (12 years ago) by wdelano: add mengine license file
mengine.py 32 (12 years ago) by tjod: correct python script to use mengine.exe
drugs.sdf 27 (12 years ago) by tjod: move mengine src to reflect new freemol directory structure
multi.h 27 (12 years ago) by tjod: move mengine src to reflect new freemol directory structure
query.h 27 (12 years ago) by tjod: move mengine src to reflect new freemol directory structure
caffeine.sdf 27 (12 years ago) by tjod: move mengine src to reflect new freemol directory structure
torsions.h 27 (12 years ago) by tjod: move mengine src to reflect new freemol directory structure
mmxconst.prm 27 (12 years ago) by tjod: move mengine src to reflect new freemol directory structure
atom_k.h 27 (12 years ago) by tjod: move mengine src to reflect new freemol directory structure
SConstruct 27 (12 years ago) by tjod: move mengine src to reflect new freemol directory structure
pdb.h 27 (12 years ago) by tjod: move mengine src to reflect new freemol directory structure
gmmx.h 27 (12 years ago) by tjod: move mengine src to reflect new freemol directory structure
cutoffs.h 27 (12 years ago) by tjod: move mengine src to reflect new freemol directory structure
mmff94.prm 27 (12 years ago) by tjod: move mengine src to reflect new freemol directory structure
solv.h 27 (12 years ago) by tjod: move mengine src to reflect new freemol directory structure
utility.h 27 (12 years ago) by tjod: move mengine src to reflect new freemol directory structure
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