ViewVC Help
View Directory | Revision Log | Download Tarball | View Changeset | Root Listing
root/freemol/trunk/src/mengine/src
r104
File Last Change
 ../
LICENSE.txt 43 (13 years ago) by wdelano: add mengine license file
Makefile 103 (13 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
SConstruct 27 (13 years ago) by tjod: move mengine src to reflect new freemol directory structure
active.c 103 (13 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
angles.c 103 (13 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
angles.h 63 (13 years ago) by gilbertke: updated read_sdf type_mmx and first pass at using best practices
asnsym.c 103 (13 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
asnsym.h 63 (13 years ago) by gilbertke: updated read_sdf type_mmx and first pass at using best practices
atom_k.h 27 (13 years ago) by tjod: move mengine src to reflect new freemol directory structure
attach.c 103 (13 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
attached.h 63 (13 years ago) by gilbertke: updated read_sdf type_mmx and first pass at using best practices
bonds_ff.h 27 (13 years ago) by tjod: move mengine src to reflect new freemol directory structure
caffeine.sdf 27 (13 years ago) by tjod: move mengine src to reflect new freemol directory structure
cutoffs.h 27 (13 years ago) by tjod: move mengine src to reflect new freemol directory structure
datastat.c 97 (13 years ago) by gilbertke: cleanup and removal of amber and opls
derivs.h 58 (13 years ago) by wdelano: code merge 20081130
dipmom.c 103 (13 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
dipmom.h 103 (13 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
draw.c 103 (13 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
draw.h 97 (13 years ago) by gilbertke: cleanup and removal of amber and opls
drugs.sdf 27 (13 years ago) by tjod: move mengine src to reflect new freemol directory structure
eangle.c 103 (13 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
ebond.c 104 (13 years ago) by gilbertke: full dynamic memory allocation of molecule
ebufchrg.c 103 (13 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
egeom.c 103 (13 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
ehal.c 104 (13 years ago) by gilbertke: full dynamic memory allocation of molecule
energies.h 103 (13 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
eobpw.c 103 (13 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
eopbend.c 63 (13 years ago) by gilbertke: updated read_sdf type_mmx and first pass at using best practices
esolv.c 103 (13 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
estrbnd.c 103 (13 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
etorsion.c 103 (13 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
field.c 103 (13 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
field.h 103 (13 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
fix.h 58 (13 years ago) by wdelano: code merge 20081130
get_mem.c 104 (13 years ago) by gilbertke: full dynamic memory allocation of molecule
gmmx.h 27 (13 years ago) by tjod: move mengine src to reflect new freemol directory structure
gmmx_run.c 103 (13 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
hess.h 63 (13 years ago) by gilbertke: updated read_sdf type_mmx and first pass at using best practices
hessian.c 58 (13 years ago) by wdelano: code merge 20081130
initiali.c 104 (13 years ago) by gilbertke: full dynamic memory allocation of molecule
kangle.c 103 (13 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
kbond.c 103 (13 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
kcharge.c 103 (13 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
kopend.c 103 (13 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
ksolv.c 103 (13 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
kstrbnd.c 103 (13 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
ktorsion.c 103 (13 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
kvdw.c 103 (13 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
mark.c 97 (13 years ago) by gilbertke: cleanup and removal of amber and opls
mengine.c 103 (13 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
mengine.py 32 (13 years ago) by tjod: correct python script to use mengine.exe
minimize.c 103 (13 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
mmff94.h 58 (13 years ago) by wdelano: code merge 20081130
mmff94.prm 27 (13 years ago) by tjod: move mengine src to reflect new freemol directory structure
mmxconst.h 58 (13 years ago) by wdelano: code merge 20081130
mmxconst.prm 27 (13 years ago) by tjod: move mengine src to reflect new freemol directory structure
multi.h 27 (13 years ago) by tjod: move mengine src to reflect new freemol directory structure
nonbond.h 103 (13 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
numeral.c 27 (13 years ago) by tjod: move mengine src to reflect new freemol directory structure
pcm7.c 104 (13 years ago) by gilbertke: full dynamic memory allocation of molecule
pcmod.h 104 (13 years ago) by gilbertke: full dynamic memory allocation of molecule
pcmsiz.h 103 (13 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
pcmwin1.c 103 (13 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
pcmwin2.c 103 (13 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
pcwin.h 103 (13 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
pdb.h 27 (13 years ago) by tjod: move mengine src to reflect new freemol directory structure
pot.h 103 (13 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
query.h 27 (13 years ago) by tjod: move mengine src to reflect new freemol directory structure
read.c 103 (13 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
read_pcm.c 97 (13 years ago) by gilbertke: cleanup and removal of amber and opls
read_sdf.c 104 (13 years ago) by gilbertke: full dynamic memory allocation of molecule
readprm.c 103 (13 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
rings.c 104 (13 years ago) by gilbertke: full dynamic memory allocation of molecule
rings.h 103 (13 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
search.c 103 (13 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
solv.h 27 (13 years ago) by tjod: move mengine src to reflect new freemol directory structure
solve.c 103 (13 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
sring.c 58 (13 years ago) by wdelano: code merge 20081130
tabulator.h 58 (13 years ago) by wdelano: code merge 20081130
tncg.c 103 (13 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
torsions.c 103 (13 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
torsions.h 27 (13 years ago) by tjod: move mengine src to reflect new freemol directory structure
type_mmx.c 104 (13 years ago) by gilbertke: full dynamic memory allocation of molecule
utility.c 103 (13 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
utility.h 27 (13 years ago) by tjod: move mengine src to reflect new freemol directory structure
vibrate.c 103 (13 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
vibrate.h 63 (13 years ago) by gilbertke: updated read_sdf type_mmx and first pass at using best practices
xlogp.c 103 (13 years ago) by gilbertke: major rewrite - removing global data, adding electrostatics tag to read_sdf
         89 files shown