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(edit)
@ffd2d46
14 years
baerbaer
Added bindings to setvar and enysol. For the trajectory analysis, I …
(edit)
@8d0e6d6
14 years
baerbaer
Make grad an allocatable rather than a static array. The array …
(edit)
@5ae43a7
14 years
baerbaer
Set implicit none and declare variables. git-svn-id: …
(edit)
@31550cb
14 years
baerbaer
Extrema stored per replica not temperature. Tracking of the minimum …
(edit)
@0f06b4a
14 years
baerbaer
Declared some more variable in INCL.H. git-svn-id: …
(edit)
@ba939c7
16 years
sandipan
Fixing omega when structure is read from a PDB file For Lund force …
(edit)
@4fd4338
16 years
sandipan
Array index overrun in if statements with "and" and "or" operators …
(edit)
@c076b43
16 years
sandipan
Updated version of Lund force field functions The Lund force field …
(edit)
@a52fb83
16 years
baerbaer
Removed extraneous FLAGS from ifort options. git-svn-id: …
(edit)
@4e219a3
16 years
baerbaer
Update Lund init and BG/P compatibility. * Moved call of init_lundff …
(edit)
@229cc35
16 years
baerbaer
Removed unnecessary call to energy in metropolis. git-svn-id: …
(edit)
@fafe4d6
16 years
baerbaer
Call enyflx() in energy() if ientyp is 1. The function energy() …
(edit)
@bd2278d
16 years
baerbaer
Reformatting comments and continuation marks. Fortran 90 and higher …
(edit)
@2ebb8b6
16 years
baerbaer
Added .gitignore to repository. git-svn-id: …
(edit)
@b477fe8
16 years
baerbaer
Fixed handling of nmol = 0 in esolan. The function energy calls …
(edit)
@078aff3
16 years
baerbaer
Uncomment lines related to analytic solvent calculation. git-svn-id: …
(edit)
@621e10f
16 years
baerbaer
* INCL.H: Corrected formatting * INCL.H: zero and one are doubles not …
(edit)
@f3074b0
16 years
baerbaer
* INCL.H: Corrected formatting * INCL.H: zero and one are doubles not …
(edit)
@81c1ffc
16 years
baerbaer
* Type definition of the first set of parameters. git-svn-id: …
(edit)
@9e4fc47
16 years
baerbaer
* Type definition of the first set of parameters. git-svn-id: …
(edit)
@17e791d
16 years
baerbaer
* Changed compiler in EXAMPLES/Makefile to gfortran. * Added link to …
(add)
@e40e335
16 years
baerbaer
Initial import to BerliOS corresponding to 3.0.4 git-svn-id: …
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