source:
@
c021909
Name | Size | Rev | Age | Author | Last Change |
---|---|---|---|---|---|
doc | e40e335 | 16 years | Initial import to BerliOS corresponding to 3.0.4 git-svn-id: … | ||
EXAMPLES | 4e219a3 | 16 years | Update Lund init and BG/P compatibility. * Moved call of init_lundff … | ||
SMMP | ba939c7 | 16 years | Fixing omega when structure is read from a PDB file For Lund force … | ||
.gitignore | 128 bytes | 2ebb8b6 | 16 years | Added .gitignore to repository. git-svn-id: … | |
addend.f | 22.0 KB | cb47b9c | 14 years | Explicitly declare variables. All variables should be declared so … | |
algorithms.py | 3.3 KB | e40e335 | 16 years | Initial import to BerliOS corresponding to 3.0.4 git-svn-id: … | |
anneal.f | 4.1 KB | bd2278d | 16 years | Reformatting comments and continuation marks. Fortran 90 and higher … | |
bgs.f | 10.0 KB | cb47b9c | 14 years | Explicitly declare variables. All variables should be declared so … | |
bldmol.f | 9.7 KB | cb47b9c | 14 years | Explicitly declare variables. All variables should be declared so … | |
callbacktest.f | 206 bytes | bd2278d | 16 years | Reformatting comments and continuation marks. Fortran 90 and higher … | |
canon.f | 3.8 KB | cb47b9c | 14 years | Explicitly declare variables. All variables should be declared so … | |
ChangeLog | 1.5 KB | e40e335 | 16 years | Initial import to BerliOS corresponding to 3.0.4 git-svn-id: … | |
cnteny.f | 4.6 KB | bd2278d | 16 years | Reformatting comments and continuation marks. Fortran 90 and higher … | |
contacts.f | 4.9 KB | 2019dff | 14 years | Explicitly declare variables. git-svn-id: … | |
difang.f | 1.5 KB | bd2278d | 16 years | Reformatting comments and continuation marks. Fortran 90 and higher … | |
dihedr.f | 3.2 KB | cb47b9c | 14 years | Explicitly declare variables. All variables should be declared so … | |
energy.f | 4.4 KB | fafe4d6 | 16 years | Call enyflx() in energy() if ientyp is 1. The function energy() … | |
eninteract.f | 2.7 KB | bd2278d | 16 years | Reformatting comments and continuation marks. Fortran 90 and higher … | |
enyflx.f | 6.0 KB | cb47b9c | 14 years | Explicitly declare variables. All variables should be declared so … | |
enylun.f | 30.5 KB | 4fd4338 | 16 years | Array index overrun in if statements with "and" and "or" operators … | |
enyreg.f | 878 bytes | bd2278d | 16 years | Reformatting comments and continuation marks. Fortran 90 and higher … | |
enyshe.f | 6.2 KB | bd2278d | 16 years | Reformatting comments and continuation marks. Fortran 90 and higher … | |
enyshe_p.f | 8.0 KB | bd2278d | 16 years | Reformatting comments and continuation marks. Fortran 90 and higher … | |
enysol.f | 10.0 KB | cb47b9c | 14 years | Explicitly declare variables. All variables should be declared so … | |
enysol_p.f | 10.3 KB | bd2278d | 16 years | Reformatting comments and continuation marks. Fortran 90 and higher … | |
esolan.f | 35.9 KB | 8d0e6d6 | 14 years | Make grad an allocatable rather than a static array. The array … | |
eyabgn.f | 5.8 KB | bd2278d | 16 years | Reformatting comments and continuation marks. Fortran 90 and higher … | |
getmol.f | 13.2 KB | cb47b9c | 14 years | Explicitly declare variables. All variables should be declared so … | |
gradient.f | 1.3 KB | bd2278d | 16 years | Reformatting comments and continuation marks. Fortran 90 and higher … | |
hbond.f | 10.6 KB | 2019dff | 14 years | Explicitly declare variables. git-svn-id: … | |
helix.f | 1.9 KB | bd2278d | 16 years | Reformatting comments and continuation marks. Fortran 90 and higher … | |
INCL.H | 19.4 KB | 08edfcf | 14 years | Charges need to be floating point numbers. While explicitely typing … | |
incl_lund.h | 1.9 KB | cb47b9c | 14 years | Explicitly declare variables. All variables should be declared so … | |
INCP.H | 1.5 KB | bd2278d | 16 years | Reformatting comments and continuation marks. Fortran 90 and higher … | |
init_energy.f | 23.0 KB | c076b43 | 16 years | Updated version of Lund force field functions The Lund force field … | |
init_molecule.f | 6.6 KB | cb47b9c | 14 years | Explicitly declare variables. All variables should be declared so … | |
main.f | 4.1 KB | cb47b9c | 14 years | Explicitly declare variables. All variables should be declared so … | |
main.py | 4.7 KB | e40e335 | 16 years | Initial import to BerliOS corresponding to 3.0.4 git-svn-id: … | |
main_bgl_p.f | 10.6 KB | bd2278d | 16 years | Reformatting comments and continuation marks. Fortran 90 and higher … | |
main_p.f | 8.2 KB | 4e219a3 | 16 years | Update Lund init and BG/P compatibility. * Moved call of init_lundff … | |
Makefile | 5.5 KB | a52fb83 | 16 years | Removed extraneous FLAGS from ifort options. git-svn-id: … | |
metropolis.f | 6.1 KB | 229cc35 | 16 years | Removed unnecessary call to energy in metropolis. git-svn-id: … | |
mincjg.f | 6.2 KB | bd2278d | 16 years | Reformatting comments and continuation marks. Fortran 90 and higher … | |
minim.f | 7.8 KB | 2019dff | 14 years | Explicitly declare variables. git-svn-id: … | |
minqsn.f | 10.3 KB | bd2278d | 16 years | Reformatting comments and continuation marks. Fortran 90 and higher … | |
mklist.f | 11.8 KB | cb47b9c | 14 years | Explicitly declare variables. All variables should be declared so … | |
mulcan_par.f | 5.2 KB | bd2278d | 16 years | Reformatting comments and continuation marks. Fortran 90 and higher … | |
mulcan_par_mod.f90 | 11.4 KB | cb47b9c | 14 years | Explicitly declare variables. All variables should be declared so … | |
mulcan_sim.f | 5.3 KB | bd2278d | 16 years | Reformatting comments and continuation marks. Fortran 90 and higher … | |
nursvr.f | 1.7 KB | bd2278d | 16 years | Reformatting comments and continuation marks. Fortran 90 and higher … | |
opeflx.f | 13.7 KB | 2d5d396 | 14 years | Explicitly declare variables. git-svn-id: … | |
opereg.f | 9.7 KB | bd2278d | 16 years | Reformatting comments and continuation marks. Fortran 90 and higher … | |
opeshe.f | 9.9 KB | 2019dff | 14 years | Explicitly declare variables. git-svn-id: … | |
opesol.f | 7.3 KB | bd2278d | 16 years | Reformatting comments and continuation marks. Fortran 90 and higher … | |
outpdb.f | 4.2 KB | bd2278d | 16 years | Reformatting comments and continuation marks. Fortran 90 and higher … | |
outvar.f | 2.8 KB | bd2278d | 16 years | Reformatting comments and continuation marks. Fortran 90 and higher … | |
partem_p.f | 22.1 KB | c021909 | 14 years | Changed asap to asa_p to avoid shadowing The global variable asap was … | |
partem_s.f | 7.4 KB | bd2278d | 16 years | Reformatting comments and continuation marks. Fortran 90 and higher … | |
pdbread.f | 13.3 KB | bd2278d | 16 years | Reformatting comments and continuation marks. Fortran 90 and higher … | |
protein.py | 10.6 KB | 4e219a3 | 16 years | Update Lund init and BG/P compatibility. * Moved call of init_lundff … | |
pySMMP.doxygen | 50.6 KB | e40e335 | 16 years | Initial import to BerliOS corresponding to 3.0.4 git-svn-id: … | |
README | 25.4 KB | e40e335 | 16 years | Initial import to BerliOS corresponding to 3.0.4 git-svn-id: … | |
redseq.f | 5.5 KB | cb47b9c | 14 years | Explicitly declare variables. All variables should be declared so … | |
redstr.f | 7.8 KB | cb47b9c | 14 years | Explicitly declare variables. All variables should be declared so … | |
redvar.f | 21.8 KB | cb47b9c | 14 years | Explicitly declare variables. All variables should be declared so … | |
regul.f | 3.2 KB | cb47b9c | 14 years | Explicitly declare variables. All variables should be declared so … | |
restoreexclpoint.py | 124 bytes | e40e335 | 16 years | Initial import to BerliOS corresponding to 3.0.4 git-svn-id: … | |
rgyr.f | 2.9 KB | bd2278d | 16 years | Reformatting comments and continuation marks. Fortran 90 and higher … | |
rmexclpoint.py | 557 bytes | e40e335 | 16 years | Initial import to BerliOS corresponding to 3.0.4 git-svn-id: … | |
rmsdfun.f | 11.0 KB | bd2278d | 16 years | Reformatting comments and continuation marks. Fortran 90 and higher … | |
setmvs.f | 15.7 KB | cb47b9c | 14 years | Explicitly declare variables. All variables should be declared so … | |
setvar.f | 1.9 KB | cb47b9c | 14 years | Explicitly declare variables. All variables should be declared so … | |
SMMP.kdevelop | 5.9 KB | bd2278d | 16 years | Reformatting comments and continuation marks. Fortran 90 and higher … | |
SMMP.kdevelop.filelist | 1.1 KB | 4e219a3 | 16 years | Update Lund init and BG/P compatibility. * Moved call of init_lundff … | |
SMMP.kdevelop.spec | 914 bytes | e40e335 | 16 years | Initial import to BerliOS corresponding to 3.0.4 git-svn-id: … | |
smmp.pyf | 296.5 KB | ffd2d46 | 14 years | Added bindings to setvar and enysol. For the trajectory analysis, I … | |
SMMP.spec | 904 bytes | e40e335 | 16 years | Initial import to BerliOS corresponding to 3.0.4 git-svn-id: … | |
SMMP.tag | 39.8 KB | e40e335 | 16 years | Initial import to BerliOS corresponding to 3.0.4 git-svn-id: … | |
twister.f | 5.7 KB | e40e335 | 16 years | Initial import to BerliOS corresponding to 3.0.4 git-svn-id: … | |
universe.py | 3.8 KB | bd2278d | 16 years | Reformatting comments and continuation marks. Fortran 90 and higher … | |
utilities.f | 6.6 KB | cb47b9c | 14 years | Explicitly declare variables. All variables should be declared so … | |
zimmer.f | 3.4 KB | bd2278d | 16 years | Reformatting comments and continuation marks. Fortran 90 and higher … |
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