Forum Message
Tracker Item
FRS Release
Item Id:
Search
MyGforge Home
Home
My Stuff
Search
Projects
Snippets
Log in
|
Register new account
ChemShell-Q-Chem interface
Summary
Reporting
Search
Message Wall
Forums
Tracker
Docs
Blog
Files
Lists
Wiki
Git
Access info
Browse Commits
Statistics
Git reference
Home
»
Projects
»
ChemShell-Q-Chem interface
»
Git
»
chemshell_qchem
/ tree
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
| tree
history
|
HEAD
|
snapshot
qchem.htp added
[chemshell_qchem]
/
src
/
xtal
/
drwxr-xr-x
..
-rwxr-xr-x
CHEMSH_INTERFACE
blob
|
history
|
raw
-rw-r--r--
Makefile.in
blob
|
history
|
raw
-rwxr-xr-x
bqout.f
blob
|
history
|
raw
-rwxr-xr-x
buxtab.f
blob
|
history
|
raw
-rw-r--r--
cluster_potential.f
blob
|
history
|
raw
-rwxr-xr-x
compon.f
blob
|
history
|
raw
-rwxr-xr-x
congen.f
blob
|
history
|
raw
-rw-r--r--
construct.f
blob
|
history
|
raw
-rwxr-xr-x
convrs.f
blob
|
history
|
raw
-rwxr-xr-x
crystal.sizes
blob
|
history
|
raw
-rwxr-xr-x
crystap.f
blob
|
history
|
raw
-rwxr-xr-x
deter4.f
blob
|
history
|
raw
-rwxr-xr-x
enemad.f
blob
|
history
|
raw
-rwxr-xr-x
eqatomp_n.f
blob
|
history
|
raw
-rwxr-xr-x
equpos.f
blob
|
history
|
raw
-rwxr-xr-x
erfdue.f
blob
|
history
|
raw
-rwxr-xr-x
erfuno.f
blob
|
history
|
raw
-rwxr-xr-x
errvrs.f
blob
|
history
|
raw
-rw-r--r--
fit_potential.f
blob
|
history
|
raw
-rwxr-xr-x
gatins.f
blob
|
history
|
raw
-rwxr-xr-x
gcalco.f
blob
|
history
|
raw
-rwxr-xr-x
gvsort.f
blob
|
history
|
raw
-rw-r--r--
interface.c
blob
|
history
|
raw
-rwxr-xr-x
inv123.f
blob
|
history
|
raw
-rw-r--r--
jk_grid.tcl
blob
|
history
|
raw
-rw-r--r--
jk_molopt.tcl
blob
|
history
|
raw
-rw-r--r--
jk_mols.tcl
blob
|
history
|
raw
-rw-r--r--
jk_slab.tcl
blob
|
history
|
raw
-rw-r--r--
jk_vector.tcl
blob
|
history
|
raw
-rw-r--r--
jk_xfield.tcl
blob
|
history
|
raw
-rw-r--r--
lwrcase.f
blob
|
history
|
raw
-rwxr-xr-x
madel2.f
blob
|
history
|
raw
-rw-r--r--
make_cluster.f
blob
|
history
|
raw
-rw-r--r--
make_molecule.f
blob
|
history
|
raw
-rwxr-xr-x
minv3.f
blob
|
history
|
raw
-rwxr-xr-x
modelpot.f
blob
|
history
|
raw
-rwxr-xr-x
molcut.f
blob
|
history
|
raw
-rwxr-xr-x
molpot.f
blob
|
history
|
raw
-rwxr-xr-x
mxmb.f
blob
|
history
|
raw
-rwxr-xr-x
mxmbn.f
blob
|
history
|
raw
-rwxr-xr-x
near.f
blob
|
history
|
raw
-rwxr-xr-x
orthog.f
blob
|
history
|
raw
-rw-r--r--
pdc.f
blob
|
history
|
raw
-rw-r--r--
periodic_potential.f
blob
|
history
|
raw
-rwxr-xr-x
pgrid2_n.f
blob
|
history
|
raw
-rwxr-xr-x
pgrid_n.f
blob
|
history
|
raw
-rw-r--r--
potfit.tcl
blob
|
history
|
raw
-rw-r--r--
potfit_slab.tcl
blob
|
history
|
raw
-rwxr-xr-x
pout.f
blob
|
history
|
raw
-rwxr-xr-x
psinp.f
blob
|
history
|
raw
-rwxr-xr-x
psmol.f
blob
|
history
|
raw
-rwxr-xr-x
psprim.f
blob
|
history
|
raw
-rwxr-xr-x
symmet.f
blob
|
history
|
raw
-rw-r--r--
xtal.tcl
blob
|
history
|
raw
-rwxr-xr-x
xyvinv.f
blob
|
history
|
raw
-rwxr-xr-x
xyvprt.f
blob
|
history
|
raw
-rwxr-xr-x
zeroch.f
blob
|
history
|
raw