../
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Parameters
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0aa122
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13 years
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FrederikHeber |
Updated all source files's copyright note to current year 2012.
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unittests
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c0e28c
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13 years
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FrederikHeber |
FIX: One could not load another pdb file due to local ids messing up.
…
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ChangeTracker.cpp
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1.4 KB
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0aa122
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13 years
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FrederikHeber |
Updated all source files's copyright note to current year 2012.
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ChangeTracker.hpp
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878 bytes
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02ce36
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13 years
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FrederikHeber |
We now require CodePatterns 1.2.0.
- this is due to the updated …
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ConfigFileBuffer.cpp
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6.9 KB
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0aa122
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13 years
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FrederikHeber |
Updated all source files's copyright note to current year 2012.
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ConfigFileBuffer.hpp
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1.1 KB
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41a467
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13 years
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FrederikHeber |
LARGE: config class is now just a tiny container.
- this was …
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FormatParser.hpp
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2.5 KB
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765f16
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13 years
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FrederikHeber |
Huge Refactoring of FormatParserStorage and all FormatParser's.
…
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FormatParser_common.cpp
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4.2 KB
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c0e28c
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13 years
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FrederikHeber |
FIX: One could not load another pdb file due to local ids messing up.
…
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FormatParser_common.hpp
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2.0 KB
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c0e28c
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13 years
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FrederikHeber |
FIX: One could not load another pdb file due to local ids messing up.
…
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FormatParser_Parameters.cpp
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6.4 KB
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0aa122
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13 years
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FrederikHeber |
Updated all source files's copyright note to current year 2012.
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FormatParser_Parameters.hpp
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1.4 KB
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7f570c
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13 years
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FrederikHeber |
Moved operator<<() and operator>>() from Mpqc/Psi3Parser_Parameters …
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FormatParser_specializations_header.hpp
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859 bytes
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765f16
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13 years
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FrederikHeber |
Huge Refactoring of FormatParserStorage and all FormatParser's.
…
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FormatParserInterface.hpp
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1.1 KB
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765f16
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13 years
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FrederikHeber |
Huge Refactoring of FormatParserStorage and all FormatParser's.
…
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FormatParserStorage.cpp
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10.9 KB
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98c428
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13 years
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FrederikHeber |
FormatParserStorage has now two convenience functions ::load().
- …
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FormatParserStorage.hpp
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3.5 KB
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98c428
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13 years
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FrederikHeber |
FormatParserStorage has now two convenience functions ::load().
- …
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FormatParserTrait.hpp
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1.1 KB
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765f16
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13 years
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FrederikHeber |
Huge Refactoring of FormatParserStorage and all FormatParser's.
…
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FormatParserTrait_specializations_header.hpp
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883 bytes
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765f16
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13 years
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FrederikHeber |
Huge Refactoring of FormatParserStorage and all FormatParser's.
…
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Makefile.am
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4.6 KB
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41a467
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13 years
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FrederikHeber |
LARGE: config class is now just a tiny container.
- this was …
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MpqcParser.cpp
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14.6 KB
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0aa122
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13 years
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FrederikHeber |
Updated all source files's copyright note to current year 2012.
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MpqcParser.hpp
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1.4 KB
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ee50c1
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13 years
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FrederikHeber |
Complete rewrite of MpqcParser_Parameters to incorporate new …
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MpqcParser_Parameters.cpp
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5.4 KB
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0aa122
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13 years
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FrederikHeber |
Updated all source files's copyright note to current year 2012.
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MpqcParser_Parameters.hpp
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3.9 KB
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7f570c
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13 years
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FrederikHeber |
Moved operator<<() and operator>>() from Mpqc/Psi3Parser_Parameters …
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MpqcParser_Parameters_initBasis.cpp
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73.3 KB
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0aa122
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13 years
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FrederikHeber |
Updated all source files's copyright note to current year 2012.
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ParserTypes.cpp
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670 bytes
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0aa122
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13 years
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FrederikHeber |
Updated all source files's copyright note to current year 2012.
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ParserTypes.def
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250 bytes
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1bef07
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13 years
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FrederikHeber |
Added first working version of a Psi3Parser.
- is so far mostly …
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ParserTypes.hpp
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1.4 KB
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765f16
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13 years
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FrederikHeber |
Huge Refactoring of FormatParserStorage and all FormatParser's.
…
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ParserTypes.undef
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46 bytes
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765f16
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13 years
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FrederikHeber |
Huge Refactoring of FormatParserStorage and all FormatParser's.
…
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PcpParser.cpp
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36.0 KB
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0aa122
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13 years
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FrederikHeber |
Updated all source files's copyright note to current year 2012.
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PcpParser.hpp
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3.7 KB
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765f16
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13 years
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FrederikHeber |
Huge Refactoring of FormatParserStorage and all FormatParser's.
…
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PcpParser_helper.cpp
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29.2 KB
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0aa122
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13 years
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FrederikHeber |
Updated all source files's copyright note to current year 2012.
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PcpParser_helper.hpp
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931 bytes
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41a467
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13 years
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FrederikHeber |
LARGE: config class is now just a tiny container.
- this was …
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PdbAtomInfoContainer.cpp
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6.7 KB
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0aa122
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13 years
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FrederikHeber |
Updated all source files's copyright note to current year 2012.
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PdbAtomInfoContainer.hpp
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2.6 KB
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765f16
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13 years
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FrederikHeber |
Huge Refactoring of FormatParserStorage and all FormatParser's.
…
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PdbKey.hpp
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564 bytes
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3e383d
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14 years
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FrederikHeber |
Removed PdbKey::timestep from PdbAtomInfoContainer as …
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PdbParser.cpp
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31.8 KB
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955b91
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13 years
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FrederikHeber |
FIX: Removed using namespace std in Vector.hpp.
- this caused some …
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PdbParser.hpp
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2.7 KB
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955b91
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13 years
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FrederikHeber |
FIX: Removed using namespace std in Vector.hpp.
- this caused some …
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Psi3Parser.cpp
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10.0 KB
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0aa122
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13 years
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FrederikHeber |
Updated all source files's copyright note to current year 2012.
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Psi3Parser.hpp
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1.4 KB
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1bef07
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13 years
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FrederikHeber |
Added first working version of a Psi3Parser.
- is so far mostly …
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Psi3Parser_Parameters.cpp
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8.0 KB
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0aa122
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13 years
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FrederikHeber |
Updated all source files's copyright note to current year 2012.
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Psi3Parser_Parameters.hpp
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7.1 KB
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c17091
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13 years
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FrederikHeber |
Added convenience function Psi3Parser_Parameters::getReferenceName().
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TremoloAtomInfoContainer.cpp
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4.4 KB
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0aa122
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13 years
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FrederikHeber |
Updated all source files's copyright note to current year 2012.
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TremoloAtomInfoContainer.hpp
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1.1 KB
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305e7e
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14 years
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FrederikHeber |
FIX: Type is actually spelled type with TREMOLO.
- corrected in …
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TremoloKey.hpp
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599 bytes
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305e7e
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14 years
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FrederikHeber |
FIX: Type is actually spelled type with TREMOLO.
- corrected in …
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TremoloParser.cpp
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26.1 KB
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955b91
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13 years
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FrederikHeber |
FIX: Removed using namespace std in Vector.hpp.
- this caused some …
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TremoloParser.hpp
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2.8 KB
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9f8b01
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13 years
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FrederikHeber |
FIX: TremoloParser::processNeighbors() always ran through all …
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XyzParser.cpp
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5.8 KB
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0aa122
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13 years
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FrederikHeber |
Updated all source files's copyright note to current year 2012.
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XyzParser.hpp
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1.1 KB
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765f16
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13 years
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FrederikHeber |
Huge Refactoring of FormatParserStorage and all FormatParser's.
…
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