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176 lines
4.7 KiB
Plaintext
176 lines
4.7 KiB
Plaintext
#######################################################################
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#
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#
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# iAPBS Release 3.6.0 ChangleLog
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#
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#
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#######################################################################
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----------------------------------------------------------------------
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Release 3.6.0 May 25, 2017
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- Updated to work with the latest charmm version (c41b2)
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----------------------------------------------------------------------
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Release 3.5.0 January 27, 2016
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- Updated for the latest APBS git release
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- Updated the NAMD module to work with NAMD 2.11
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----------------------------------------------------------------------
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Release 3.4.0 November 20, 2014
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- Updated the NAMD module to work with NAMD 2.10b2
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- Switched to using github in instructions
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----------------------------------------------------------------------
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Release 3.3.0 May 27, 2014
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- Switched to dynamic memory allocation in the Amber module.
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- Updated the Amber module to work with Amber14.
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----------------------------------------------------------------------
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Release 3.2.0 September 3, 2013
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- Fixed a bug in modules/Amber/amber.f90 (reported by Marek Maly)
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----------------------------------------------------------------------
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Release 3.1.0 March 15, 2013
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- The NAMD module has been updated to work with NAMD version 2.9.
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- Several small bug fixes in the CHARMM module.
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----------------------------------------------------------------------
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Release 3.0.0 February 7, 2013
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- The API has been extended, support for grid data writing and reading
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on the fly added.
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- New application module for Rosetta, thanks to Sachko Honda. This
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module is distributed with Rosetta.
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----------------------------------------------------------------------
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Release 2.3.0, December 6, 2012
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- Converted to use cmake
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- Tighter integration with APBS build process. Now builds with
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"cmake -DENABLE_iAPBS=ON .."
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----------------------------------------------------------------------
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Release 2.2.0, October 10, 2012
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- Updated to work with the latest APBS git code
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----------------------------------------------------------------------
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Release 2.1.0, January 11, 2012
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- Updated Amber, NAMD and CHARMM modules.
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- Fixed a couple of low priority bugs.
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----------------------------------------------------------------------
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Release 2.0.0, December 8, 2011
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- iAPBS is included in APBS
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- Updated apolar section of the code.
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- Cleaned tests.
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----------------------------------------------------------------------
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Release 1.2.0, March 15, 2011
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- Support for NAMD pre-2.8.
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- Hooks for zlib support.
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----------------------------------------------------------------------
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Release 1.1.0, February 28, 2011
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- Updated for APBS 1.3
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- Added a feature for writing numbered elstat potential files during
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an MD in Amber
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- Updated CHARMM module, docs and test cases
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----------------------------------------------------------------------
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Release 1.0.0, November 18, 2009
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- Updated the NAMD module for NAMD version 2.7b2 and the current CVS
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tree.
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- Updated the Amber module to work with Amber11 CVS tree.
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----------------------------------------------------------------------
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Release 0.8.0, April 30, 2009
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- Updated the NAMD module and associated files for NAMD version 2.7b1
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and newer. Extended the NAMD module functionality for writing and
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reading APBS maps. This is a release candidate for an official NAMD
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module release.
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----------------------------------------------------------------------
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Release 0.7.0, April 7, 2009
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- Added patch for CHARMM c35b2
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----------------------------------------------------------------------
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Release 0.6.0, Jan 14, 2009
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- Added support for diel and kappa map reading/writing.
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- Added support for charge map reading.
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- CHARMM and Amber modules updated for the new functionality.
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----------------------------------------------------------------------
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Release 0.5.0, Oct 14, 2008
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- Added rudimentary MPI support
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----------------------------------------------------------------------
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Release 0.4.0, Sep 22, 2008
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- A fix for APBS memory leak for multiple iAPBS calls.
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----------------------------------------------------------------------
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Release 0.3.0, May 28, 2008
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- Updated the interface to match APBS version 1.0.0
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- Added basic NAMD module support.
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----------------------------------------------------------------------
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Release 0.2.0, June 21, 2006
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- Updated the interface to match APBS version 0.4.0.
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- Amber module available together with docs and examples.
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- Manual installation converted to autotools.
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- Added support for linking with C++ applications (thanks to Gernot
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Kieseritzky).
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----------------------------------------------------------------------
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Release 0.1.0 May 25, 2005
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- Initial public release.
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- CHARMM module available with docs and examples.
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