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(edit) @87ddcf7   13 years meinke Rename common block log to logging.
(edit) @225475c   14 years Jan Meinke Move pysmmp in its own subdirectory.
(edit) @5fef0d7   14 years Jan Meinke Changed module name from smmp to smmp_p. Fixed conversion to residue …
(edit) @3fbbfbb   14 years Jan Meinke Move to doxygen comments and smmp_p. Doxygen comments in Fortran are …
(edit) @9f146fa   14 years Jan Meinke Added comment describing how to compile a minimal interface.
(edit) @281b862   14 years Jan Meinke Merged Makefile
(edit) @5272e0d   14 years Jan Meinke Added ppybind target to Makefile Added a new target for creating …
(edit) @7137e5d   14 years Jan Meinke Added timer and enyshe using double loop.
(edit) @38d77eb   14 years baerbaer Redirected standard out to logString. SMMP produced a lot of log …
(edit) @32289cd   14 years baerbaer Explicitly declare variables. git-svn-id: …
(edit) @6650a56   14 years baerbaer Explicitly declare variables. git-svn-id: …
(edit) @30644a9   14 years baerbaer Put init_lund in separate file. git-svn-id: …
(edit) @6012d3f   14 years baerbaer Include init_lund in dependencies. git-svn-id: …
(edit) @c021909   14 years baerbaer Changed asap to asa_p to avoid shadowing The global variable asap was …
(edit) @08edfcf   14 years baerbaer Charges need to be floating point numbers. While explicitely typing …
(edit) @2019dff   14 years baerbaer Explicitly declare variables. git-svn-id: …
(edit) @2d5d396   14 years baerbaer Explicitly declare variables. git-svn-id: …
(edit) @cb47b9c   14 years baerbaer Explicitly declare variables. All variables should be declared so …
(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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