| Some minor fixes. |
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almost 16 years ago
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| Updated version in configure.ac to reflect current branch. |
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almost 16 years ago
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| Version bump to Sep-18-2009 |
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almost 16 years ago
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| Added more Zippy quotes from the vim global plugin for zippy quotes. |
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almost 16 years ago
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| Changed ZippyQuotes.f90 a little. |
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almost 16 years ago
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| Updated version name in configure.ac |
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almost 16 years ago
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| Fixed variable definition problem in RQI.f90. |
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almost 16 years ago
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| Cleaned up trailing whitespace issues. |
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almost 16 years ago
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| Resolved for the greater good. |
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almost 16 years ago
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| This is a quick and dirty bug fix. For some reason, this print statement can lead to segfaults. Sure, I could spend a few weeks tracking it down, but its not critical, so just do without for now. |
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almost 16 years ago
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| Fixed a bug that can happen for large supercells. If you go beyond a supercell of 100, this bug will re-occur. |
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almost 16 years ago
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| Added some input control for the QUIRQI to swich the max number of optimization cycles as well as the initial guess (Koopmans' or polarization). Polarization does not work for PBC yet. |
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almost 16 years ago
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| WORKING VERSION OF QUIRQI, WITH ALL OF THE LEGACY DEVELOPMENT BITS, LIKE L[P] + L[Q] VERSION OF THE CODE. WILL BE CLEANED OUT IN NEXT ITERATION, BUT THERE FOR POSTERITY. |
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almost 16 years ago
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| Fixed some dist issues due to the NSMat fixes. |
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about 16 years ago
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| Cleaned up Makefile. |
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about 16 years ago
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| Added basic infrastructure for variable time steps in MD. |
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about 16 years ago
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| Added build information to MondoConfig.h |
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about 16 years ago
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| Some cleanup of printing stuff. |
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about 16 years ago
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| Added spin model option to input. |
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about 16 years ago
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| Cleaned up Extrapolate logic. |
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about 16 years ago
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| Small change in P2Use:Extrapolate logic. |
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about 16 years ago
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| Reactivated NEBPurify to some extent. |
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about 16 years ago
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| Added energy output to optimizer. |
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about 16 years ago
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| Added configure information to MondoConfig.h. |
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about 16 years ago
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| Print out more information on total force. |
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about 16 years ago
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| Added option for parallel (MPI) build to configure.ac. |
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about 16 years ago
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| A little cleanup in NEB.f90 |
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about 16 years ago
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| Merged steepest descent and conjugate gradient. |
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about 16 years ago
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| Changed stepsize cutoff to RMSd. |
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about 16 years ago
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| Fixed some minor thing. |
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about 16 years ago
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