Lines Matching refs:reader
14 # bug fix: pdb reader as trajectory error
16 # bug fix: APBS reader could hang on empty line
18 # bug fix: CCP4/MRC and XPLOR map file reader fix/upgrade
77 # bug fix: NWChem reader not reading files with lower-case-only atom names
103 # bug fix: Gaussian '09 reader not reading " Atom AN" properly in frequency lists
108 # bug fix: AIMS reader not reading multipole lines describing monopoles
111 # bug fix: CASTEP reader not understanding unit specifier in .cell files
126 # bug fix: GAMESS reader not reading all vibrational frequencies
132 # bug fix: GAMESS reader not reading BETA MOs.
151 # bug fix: GAMESS reader vibrations use wrong atom coordinates
152 # bug fix: PQR reader not adaptive
155 # bug fix: Gaussian 09 LOG file reader upgrade for MOs
285 # bug fix: gaussian reader may fail to read MOs from Gaussian 03: AM64L-G03RevC.01 3-Apr-2004
388 # new feature: GROMACS reader
400 # bug fix: mol2 reader not properly allowing override of CRYSIN unit cell record
467 # new feature: gamessUS reader now reads dipoles and partial charges.
479 # new feature: Gamess file reader now translates internal basis set and calculation
521 # new feature: GAMESS reader now sets calculationType, orbital type, and auxiliaryInfo.calculationO…
526 # bug fix: spartan'08 reader not reading vibrations
535 # bug fix: GAMESS reader not properly assigning MOs
705 # bug fix: isosurface efvet reader not displaying data properties as colors
749 # new feature: An XML reader for Materials Studio .xsd files http://accelrys.com/products/material…
786 # bug fix: MO reader can fail setting min/max bounds
1006 # spartan smol reader broken in 11.7.37
1085 # new feature: Wien2k reader
1126 # bug fix: Jaguar reader vibrations not correct
1138 # bug fix: V3000 reader chokes on CHG=n and does not recognize MASS=n
1139 # bug fix: Spartan SMOL file reader failure (coded & instead of && in if statement!)
1141 # new feature: GAMESS reader reads NBOs using
1143 # new feature: QChem reader reads occupancy, frequencies and MOs
1149 # bug fix: automatic adjustment for 5D (spherical) orbitals, especially for Spartan Smol reader
1150 # bug fix -- Spartan reader adding " in front of atom label
1168 # new feature: Spartan reader now reads all models in an energy profile
1224 # new feature: isosurface OBJ file reader using
1255 # bug fix: Spartan reader reads MOs improperly when only a partials set of MOs is included in the f…
1343 # new feature: Alchemy/3DNA reader
1445 # readers: MOLDEN reader update contributed by Albert DeFusco - adefusco
1446 # readers: GAMESS reader update contributed by Albert DeFusco - adefusco
1516 # new feature: efvet file reader (http://ef-site.hgc.jp/eF-site)
1518 # bug fix: isosurface APBS dx file reader broken (since 4/2007)
1760 # new feature: MOL2 reader is PDB-enabled.
1764 # bug fix: CML reader failst to load primitive lattice parameters when no symmetry
1765 # note: CML reader only reads the first structure of a file
1766 # bug fix: CML reader not assigning atom labels
1815 # cml reader fix for not applying symmetry to first model
2394 # new feature: xyz reader reads partial charge in 5th field
2761 # new feature: GamessUK reader
2939 # bug fix: mol2 reader cannot read files with single-line comments
2945 # bug fix: CAChe CSF reader not reading partial charges
2963 # bug fix: Spartan SMOL directory reader doesn't assign bonds
2964 # new feature: Spartan archive reader now reads aromatic bonding
2974 # bug fix: Spartan SMOL directory reader doesn't assign bonds
2975 # new feature: Spartan archive reader now reads aromatic bonding
3066 # bug fix: Gaussian reader not considering possibility of cartesian D and spherical F
3067 # bug fix: ADF reader not reading coordinates for newer ADF output
3147 # new feature: reading of Spartan spinput files (uses Odyssey reader)
3225 # bug fix: CIF reader not skipping loops with load of a specific model of a model set
3382 # new feature: formatted gOpenMol formatted plt volume data reader.
3595 # new feature: Spartan06 file format reader
4114 # new feature: MOL reader recognizes bond types 4,5,6,7
4631 # new feature: adds Jaguar PLT plot file reader for isosurface
4711 # bug fix: gamess reader MO fix
4721 # bug fix: ACD/Labs nonstandard cml "builtin" property reader
4741 # bug fix: ACD/Labs nonstandard cml "builtin" property reader
4742 # note that xmlReader (SAX reader) is now set to ignore all DOCTYPE declarations
4825 # bug fix for Gaussian file reader fix for very large negative MO coefficients
4836 # bug fix for gamess reader MO fix
4844 # bug fix for compound document reader not reading enough short segment pointers
4845 # bug fix for Spartan reader not recognizing 5D orbital problem
5054 # allows for efficient specific file reader options for the applet (particularly)
5062 # adds PQR reader option, at least for PDB2PQR generated output
5206 # adds MOPAC 2007 graphf output reader (gpt2 files, MOPAC molecular orbitals)
5643 # This shows up in the MOL2 reader and may be selected for and modified using, for example: