File |
Last Change
![]() |
---|---|
![]() |
|
![]() |
3533 (14 years ago) by cli2: Bug fixes in the SelectionEvaluator and SelectionCompiler Added print option in Restraints |
![]() |
3533 (14 years ago) by cli2: Bug fixes in the SelectionEvaluator and SelectionCompiler Added print option in Restraints |
![]() |
3533 (14 years ago) by cli2: Bug fixes in the SelectionEvaluator and SelectionCompiler Added print option in Restraints |
![]() |
3533 (14 years ago) by cli2: Bug fixes in the SelectionEvaluator and SelectionCompiler Added print option in Restraints |
![]() |
3520 (15 years ago) by cli2: Added new restraint infrastructure Added MolecularRestraints Added ObjectRestraints Added RestraintStamp Updated thermodynamic integration to use ObjectRestraints Added Quaternion mathematics for twist swing decompositions Significantly updated RestWriter and RestReader to use dump-like files Added selections for x, y, and z coordinates of atoms Removed monolithic Restraints class Fixed a few bugs in gradients of Euler angles in DirectionalAtom and RigidBody Added some rotational capabilities to prinicpalAxisCalculator |
![]() |
3520 (15 years ago) by cli2: Added new restraint infrastructure Added MolecularRestraints Added ObjectRestraints Added RestraintStamp Updated thermodynamic integration to use ObjectRestraints Added Quaternion mathematics for twist swing decompositions Significantly updated RestWriter and RestReader to use dump-like files Added selections for x, y, and z coordinates of atoms Removed monolithic Restraints class Fixed a few bugs in gradients of Euler angles in DirectionalAtom and RigidBody Added some rotational capabilities to prinicpalAxisCalculator |
![]() |
2759 (18 years ago) by tim: Adding single precision capabilities to c++ side |
![]() |
2759 (18 years ago) by tim: Adding single precision capabilities to c++ side |
![]() |
2479 (18 years ago) by tim: adding SelectionToken.cpp |
![]() |
2469 (18 years ago) by tim: End of the Link --> List Return of the Oject-Oriented replace yacc/lex parser with antlr parser |
![]() |
2469 (18 years ago) by tim: End of the Link --> List Return of the Oject-Oriented replace yacc/lex parser with antlr parser |
![]() |
2469 (18 years ago) by tim: End of the Link --> List Return of the Oject-Oriented replace yacc/lex parser with antlr parser |
![]() |
2469 (18 years ago) by tim: End of the Link --> List Return of the Oject-Oriented replace yacc/lex parser with antlr parser |
![]() |
2469 (18 years ago) by tim: End of the Link --> List Return of the Oject-Oriented replace yacc/lex parser with antlr parser |
![]() |
2469 (18 years ago) by tim: End of the Link --> List Return of the Oject-Oriented replace yacc/lex parser with antlr parser |
![]() |
2469 (18 years ago) by tim: End of the Link --> List Return of the Oject-Oriented replace yacc/lex parser with antlr parser |
![]() |
2204 (19 years ago) by gezelter: xemacs has been drafted to perform our indentation services |