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GAMESS log containing F and G type orbitals can now be imported. (MO calculation...
[molby/Molby.git]
/
Scripts
/
loadsave.rb
2013-01-21
toshinagata1964
GAMESS log containing F and G type orbitals can now...
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commitdiff
2012-11-02
toshinagata1964
Suppress output of pi-anchors when generating GAMESS...
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diff to current
2012-10-30
toshinagata1964
Expanding by symmetry (and loading cif file) was not...
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diff to current
2012-10-28
toshinagata1964
The load/save codes are rewritten, so that the error...
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diff to current
2012-06-29
toshinagata1964
The anisotropic parameters for the symmetry expanded...
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diff to current
2012-06-28
toshinagata1964
Symmetry expansion in CIF import is improved. (May...
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diff to current
2012-06-27
toshinagata1964
Molecule#expand_by_symmetry now returns an array of...
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diff to current
2012-06-27
toshinagata1964
Molecule#symop_for_transform and transform_for_symop...
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diff to current
2012-06-25
toshinagata1964
The restriction on the number of bonds (12) is removed...
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diff to current
2012-06-20
toshinagata1964
Symmetry operations from the CIF file were not read...
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diff to current
2012-03-29
toshinagata1964
CIF import may fail when _geom_bond_site_symmetry_1...
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diff to current
2012-02-26
toshinagata1964
.log and .out are both accepted as the extension of...
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diff to current
2011-11-30
toshinagata1964
Rms of crystallographic parameters (from the CIF file...
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diff to current
2011-10-31
toshinagata1964
CIF import is improved, so that bonds including the...
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diff to current
2011-09-26
toshinagata1964
Improve crd/mdcrd import.
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diff to current
2011-08-19
toshinagata1964
Importing mdcrd was still broken. Fixed (hopefully)
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diff to current
2011-08-05
toshinagata1964
Fix mdcrd import to allow coordinates using full 8...
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diff to current
2011-08-01
toshinagata1964
MO import from GAMESS output is being implemented ...
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diff to current
2011-07-28
toshinagata1964
CIF import is implemented (maybe still incomplete)
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diff to current
2011-07-20
toshinagata1964
Importing mdcrd with periodic box now works correctly.
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diff to current
2011-07-06
toshinagata1964
Importing Amber mdcrd files is implemented.
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diff to current
2010-05-16
toshinagata1964
The native format (mbsf) now preserves the display...
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diff to current
2010-05-06
toshinagata1964
Undo is kept enabled during 'molload' and related calls...
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diff to current
2010-02-23
toshinagata1964
The return value of Ruby command loadout was incorrect...
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diff to current
2010-01-21
toshinagata1964
initial import
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