| ../ | 
  | unittests |  | 748fc7 | 11 years | FrederikHeber | libMolecuilder is now a shared library.
- linking error … | 
  | pugixml |  | d2596b | 14 years | FrederikHeber | Added XmlParser for parsing configurations for ScaFaCoS generic test … | 
  | Parameters |  | 748fc7 | 11 years | FrederikHeber | libMolecuilder is now a shared library.
- linking error … | 
  | XyzParser.hpp | 1.1 KB
     | d5b90b | 13 years | FrederikHeber | FIX: XyzParser had lacking precision beyond coordinates of 100000.
- … | 
  | XyzParser.cpp | 7.0 KB
     | 5aaa43 | 12 years | FrederikHeber | FIX: Fixed new copyright line since start of 2013 in CodeChecks test.
 … | 
  | XmlParser.hpp | 3.6 KB
     | 856d05 | 13 years | FrederikHeber | MEMFIX: Added WorldTime and ObserverLog ::purgeInstance() calls.
- … | 
  | XmlParser.cpp | 12.7 KB
     | 4b10fd | 12 years | FrederikHeber | XmlParser::load() now gives each different charge a different element. … | 
  | TremoloParser_ElementKeys.hpp | 723 bytes
     | d9005c1 | 14 years | FrederikHeber | Extracted TremoloParser::knownTypes into distinct class ElementKeys, … | 
  | TremoloParser_ElementKeys.cpp | 5.4 KB
     | 94d5ac6 | 13 years | FrederikHeber | FIX: As we use GSL internally, we are as of now required to use GPL v2 … | 
  | TremoloParser.hpp | 4.5 KB
     | 05e2ed | 13 years | FrederikHeber | FIX: TremoloParser did not load/save imprData or torsion correctly.
- … | 
  | TremoloParser.cpp | 34.0 KB
     | 5aaa43 | 12 years | FrederikHeber | FIX: Fixed new copyright line since start of 2013 in CodeChecks test.
 … | 
  | TremoloKey.hpp | 599 bytes
     | 305e7e | 15 years | FrederikHeber | FIX: Type is actually spelled type with TREMOLO.
- corrected in … | 
  | TremoloAtomInfoContainer.hpp | 1.1 KB
     | 305e7e | 15 years | FrederikHeber | FIX: Type is actually spelled type with TREMOLO.
- corrected in … | 
  | TremoloAtomInfoContainer.cpp | 5.0 KB
     | 94d5ac6 | 13 years | FrederikHeber | FIX: As we use GSL internally, we are as of now required to use GPL v2 … | 
  | Psi3Parser_Parameters.hpp | 6.8 KB
     | a2f5e5 | 13 years | FrederikHeber | FIX: Cleaned up includes in Psi3Parser_Parameters. | 
  | Psi3Parser_Parameters.cpp | 7.6 KB
     | a2f5e5 | 13 years | FrederikHeber | FIX: Cleaned up includes in Psi3Parser_Parameters. | 
  | Psi3Parser.hpp | 1.9 KB
     | a2f5e5 | 13 years | FrederikHeber | FIX: Cleaned up includes in Psi3Parser_Parameters. | 
  | Psi3Parser.cpp | 11.7 KB
     | 5aaa43 | 12 years | FrederikHeber | FIX: Fixed new copyright line since start of 2013 in CodeChecks test.
 … | 
  | PdbParser.hpp | 2.9 KB
     | 105b72 | 13 years | FrederikHeber | FIX: PdbParser skipped when coordinate exceeded 9999.999.
- the … | 
  | PdbParser.cpp | 34.1 KB
     | 3d70e3 | 11 years | FrederikHeber | MEMFIX: Mismatched delete in PdbParser::Save(). | 
  | PdbKey.hpp | 564 bytes
     | 3e383d | 15 years | FrederikHeber | Removed PdbKey::timestep from PdbAtomInfoContainer as … | 
  | PdbAtomInfoContainer.hpp | 2.6 KB
     | 765f16 | 14 years | FrederikHeber | Huge Refactoring of FormatParserStorage and all FormatParser's.
 … | 
  | PdbAtomInfoContainer.cpp | 7.3 KB
     | 94d5ac6 | 13 years | FrederikHeber | FIX: As we use GSL internally, we are as of now required to use GPL v2 … | 
  | PcpParser_helper.hpp | 931 bytes
     | 41a467 | 14 years | FrederikHeber | LARGE: config class is now just a tiny container.
- this was … | 
  | PcpParser_helper.cpp | 30.0 KB
     | 76096d | 12 years | FrederikHeber | FIX: Several fixes found through CppCheck.
- strncpy does not always … | 
  | PcpParser.hpp | 3.7 KB
     | 765f16 | 14 years | FrederikHeber | Huge Refactoring of FormatParserStorage and all FormatParser's.
 … | 
  | PcpParser.cpp | 36.7 KB
     | 5aaa43 | 12 years | FrederikHeber | FIX: Fixed new copyright line since start of 2013 in CodeChecks test.
 … | 
  | ParserTypes.undef | 46 bytes
     | 765f16 | 14 years | FrederikHeber | Huge Refactoring of FormatParserStorage and all FormatParser's.
 … | 
  | ParserTypes.hpp | 1.4 KB
     | 765f16 | 14 years | FrederikHeber | Huge Refactoring of FormatParserStorage and all FormatParser's.
 … | 
  | ParserTypes.def | 255 bytes
     | d2596b | 14 years | FrederikHeber | Added XmlParser for parsing configurations for ScaFaCoS generic test … | 
  | ParserTypes.cpp | 1.3 KB
     | 94d5ac6 | 13 years | FrederikHeber | FIX: As we use GSL internally, we are as of now required to use GPL v2 … | 
  | MpqcParser_Parameters_initBasis.cpp | 73.9 KB
     | 94d5ac6 | 13 years | FrederikHeber | FIX: As we use GSL internally, we are as of now required to use GPL v2 … | 
  | MpqcParser_Parameters.hpp | 4.0 KB
     | cf1d82 | 13 years | FrederikHeber | Parameter now contains Value, not inherits.
- added several function … | 
  | MpqcParser_Parameters.cpp | 5.7 KB
     | a2f5e5 | 13 years | FrederikHeber | FIX: Cleaned up includes in Psi3Parser_Parameters. | 
  | MpqcParser.hpp | 1.5 KB
     | 03a589 | 14 years | FrederikHeber | Removed lots of remnant output functions in atom and molecule that are … | 
  | MpqcParser.cpp | 17.5 KB
     | 5aaa43 | 12 years | FrederikHeber | FIX: Fixed new copyright line since start of 2013 in CodeChecks test.
 … | 
  | Makefile.am | 4.9 KB
     | 214240 | 13 years | FrederikHeber | FIX: Most of the includedirs were wrongly set.
- each just needs to … | 
  | FormatParserTrait_specializations_header.hpp | 883 bytes
     | 765f16 | 14 years | FrederikHeber | Huge Refactoring of FormatParserStorage and all FormatParser's.
 … | 
  | FormatParserTrait.hpp | 1.1 KB
     | 765f16 | 14 years | FrederikHeber | Huge Refactoring of FormatParserStorage and all FormatParser's.
 … | 
  | FormatParserStorage.hpp | 3.6 KB
     | 59ec04 | 13 years | ankele | FormatParserStorage::isAbleToSave() added | 
  | FormatParserStorage.cpp | 12.0 KB
     | 3b75c2 | 13 years | FrederikHeber | FIX: FormatParserStorage now first deletes the parser, that flushes … | 
  | FormatParserInterface.hpp | 1.1 KB
     | 765f16 | 14 years | FrederikHeber | Huge Refactoring of FormatParserStorage and all FormatParser's.
 … | 
  | FormatParser_specializations_header.hpp | 859 bytes
     | 765f16 | 14 years | FrederikHeber | Huge Refactoring of FormatParserStorage and all FormatParser's.
 … | 
  | FormatParser_Parameters.hpp | 1.4 KB
     | 6440c6 | 13 years | FrederikHeber | Reworked inheritance graph of Parameter and Value.
- Value now takes … | 
  | FormatParser_Parameters.cpp | 7.0 KB
     | 6440c6 | 13 years | FrederikHeber | Reworked inheritance graph of Parameter and Value.
- Value now takes … | 
  | FormatParser_common.hpp | 2.0 KB
     | c0e28c | 14 years | FrederikHeber | FIX: One could not load another pdb file due to local ids messing up.
 … | 
  | FormatParser_common.cpp | 4.9 KB
     | 3b75c2 | 13 years | FrederikHeber | FIX: FormatParserStorage now first deletes the parser, that flushes … | 
  | FormatParser.hpp | 2.5 KB
     | 765f16 | 14 years | FrederikHeber | Huge Refactoring of FormatParserStorage and all FormatParser's.
 … | 
  | Exceptions.hpp | 919 bytes
     | 1f3b2a | 13 years | FrederikHeber | FIX: double inclusion prevention of Parser/exceptions corrected. | 
  | ConfigFileBuffer.hpp | 1.1 KB
     | 41a467 | 14 years | FrederikHeber | LARGE: config class is now just a tiny container.
- this was … | 
  | ConfigFileBuffer.cpp | 7.6 KB
     | 94d5ac6 | 13 years | FrederikHeber | FIX: As we use GSL internally, we are as of now required to use GPL v2 … | 
  | ChangeTracker.hpp | 850 bytes
     | fa437c | 13 years | ankele | made ChangeTracker::hasChanged() public | 
  | ChangeTracker.cpp | 2.2 KB
     | 94d5ac6 | 13 years | FrederikHeber | FIX: As we use GSL internally, we are as of now required to use GPL v2 … |