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@6012d3f
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14 years |
baerbaer |
Include init_lund in dependencies.
git-svn-id: …
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@c021909
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14 years |
baerbaer |
Changed asap to asa_p to avoid shadowing
The global variable asap was …
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@08edfcf
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14 years |
baerbaer |
Charges need to be floating point numbers.
While explicitely typing …
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@2019dff
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14 years |
baerbaer |
Explicitly declare variables.
git-svn-id: …
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@2d5d396
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14 years |
baerbaer |
Explicitly declare variables.
git-svn-id: …
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@cb47b9c
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14 years |
baerbaer |
Explicitly declare variables.
All variables should be declared so …
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@ffd2d46
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14 years |
baerbaer |
Added bindings to setvar and enysol.
For the trajectory analysis, I …
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@8d0e6d6
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14 years |
baerbaer |
Make grad an allocatable rather than a static array.
The array …
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@5ae43a7
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14 years |
baerbaer |
Set implicit none and declare variables.
git-svn-id: …
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@31550cb
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14 years |
baerbaer |
Extrema stored per replica not temperature.
Tracking of the minimum …
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@0f06b4a
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14 years |
baerbaer |
Declared some more variable in INCL.H.
git-svn-id: …
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@ba939c7
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16 years |
sandipan |
Fixing omega when structure is read from a PDB file
For Lund force …
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@4fd4338
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16 years |
sandipan |
Array index overrun in if statements with "and" and "or" operators …
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@c076b43
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16 years |
sandipan |
Updated version of Lund force field functions
The Lund force field …
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@a52fb83
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16 years |
baerbaer |
Removed extraneous FLAGS from ifort options.
git-svn-id: …
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@4e219a3
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16 years |
baerbaer |
Update Lund init and BG/P compatibility.
* Moved call of init_lundff …
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@229cc35
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16 years |
baerbaer |
Removed unnecessary call to energy in metropolis.
git-svn-id: …
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@fafe4d6
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16 years |
baerbaer |
Call enyflx() in energy() if ientyp is 1.
The function energy() …
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@bd2278d
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16 years |
baerbaer |
Reformatting comments and continuation marks.
Fortran 90 and higher …
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@2ebb8b6
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16 years |
baerbaer |
Added .gitignore to repository.
git-svn-id: …
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@b477fe8
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16 years |
baerbaer |
Fixed handling of nmol = 0 in esolan.
The function energy calls …
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@078aff3
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16 years |
baerbaer |
Uncomment lines related to analytic solvent calculation.
git-svn-id: …
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@621e10f
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16 years |
baerbaer |
* INCL.H: Corrected formatting
* INCL.H: zero and one are doubles not …
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@f3074b0
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16 years |
baerbaer |
* INCL.H: Corrected formatting
* INCL.H: zero and one are doubles not …
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@81c1ffc
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16 years |
baerbaer |
* Type definition of the first set of parameters.
git-svn-id: …
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@9e4fc47
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16 years |
baerbaer |
* Type definition of the first set of parameters.
git-svn-id: …
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@17e791d
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16 years |
baerbaer |
* Changed compiler in EXAMPLES/Makefile to gfortran.
* Added link to …
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@e40e335
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16 years |
baerbaer |
Initial import to BerliOS corresponding to 3.0.4
git-svn-id: …
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