| 2022-01-27 |
Toshi Nagata | All Ruby strings now have default external encoding |
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| 2014-03-21 |
toshinagata1964 | Obsolete codes are removed |
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| 2014-02-03 |
toshinagata1964 | Embed ruby 2.0 instead of 1.8.7 |
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| 2014-01-30 |
toshinagata1964 | Ruby: Molecule#find_close_atoms is modified so that... |
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| 2012-11-19 |
toshinagata1964 | An error in PME energy calculation is corrected. MDArea... |
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| 2012-11-19 |
toshinagata1964 | MDArena#use_ewald, ewald_beta, ewald_grid, ewald_freq... |
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| 2012-11-11 |
toshinagata1964 | Particle Mesh Ewald is being implemented (still not... |
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| 2012-09-01 |
toshinagata1964 | Ruby: Molecule#bond_par, angle_par, dihedral_par, impro... |
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| 2012-08-02 |
toshinagata1964 | Property table can now list the unit cell parameters. |
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| 2012-07-06 |
toshinagata1964 | Cell minimization is improved (hopefully...) |
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| 2012-07-05 |
toshinagata1964 | Implemented minimization of cell parameters. Looks... |
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| 2012-06-22 |
toshinagata1964 | Include periodicity flags in the 'define unit cell... |
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| 2012-06-20 |
toshinagata1964 | Building verlet list seems to be working. Handling... |
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| 2012-06-14 |
toshinagata1964 | MM forces are updated even after 'run(0)' |
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| 2011-10-12 |
toshinagata1964 | Setting external forces during MM/MD is implemented. |
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| 2011-09-30 |
toshinagata1964 | After MD run, coordinates are copied back to the molecu... |
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| 2011-09-28 |
toshinagata1964 | Implementation of alchemical perturbation seems to... |
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| 2011-09-27 |
toshinagata1964 | Experimental implementation of alchemical perturbation... |
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| 2011-07-26 |
toshinagata1964 | Create New Parameter menu command is implemented. Molec... |
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| 2011-07-20 |
toshinagata1964 | AMBER prmtop/inpcrd export is improved for periodic... |
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| 2011-07-03 |
toshinagata1964 | Ruby: Molecule#bond_par, angle_par, dihedral_par, impro... |
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| 2010-05-12 |
toshinagata1964 | Calculation of vdw/elect forces was wrong when the... |
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| 2010-03-31 |
toshinagata1964 | Frames can now have variable unit cell parameters. |
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| 2010-03-13 |
toshinagata1964 | DialogItem class is implemented; Dialog#item and Dialog... |
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| 2010-03-02 |
toshinagata1964 | MDArena#keys is implemented. MessageOutput class is... |
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| 2010-03-01 |
toshinagata1964 | The MDArena attributes 'transient_temperature' and... |
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| 2010-02-18 |
toshinagata1964 | Cleaning up the rdoc comments. |
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| 2010-01-21 |
toshinagata1964 | initial import |
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