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r2051
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antlr/ 1969 (11 years ago) by gezelter: Fixes to deal with deprecation of MPI C++ bindings. We've reverted back to the C calls.
applications/ 2051 (10 years ago) by gezelter: Fixed a frequency computation bug in a utility script
brains/ 2047 (10 years ago) by gezelter: Added UniformGradient to perturbation list.
clusters/ 1879 (12 years ago) by gezelter: MERGE OpenMD development 1783:1878 into trunk
constraints/ 2022 (10 years ago) by gezelter: Added support for accumulateBoxQuadrupole flag
flucq/ 1984 (11 years ago) by gezelter: Some small compilation fixes for MSVC
hydrodynamics/ 1879 (12 years ago) by gezelter: MERGE OpenMD development 1783:1878 into trunk
integrators/ 2031 (10 years ago) by jmichalk: Added a surface diffusion analyser to staticProps
io/ 2045 (10 years ago) by gezelter: Starting to get ready for 2.3 release. Separating type parsers from io routines. Fixing old samples to use newer syntax.
lattice/ 1977 (11 years ago) by gezelter: Removed some scary errors that are really supposed to be OPENMD_INFO messages
math/ 2019 (10 years ago) by gezelter: Fix for dynamically linking with qhull
mdParser/ 2046 (10 years ago) by gezelter: Fixed some broken comments for use with Doxygen. Made changes to allow topology-based force-field overrides in include files. Fixed a calculation of box quadrupole moments for molecules with point dipoles.
nonbonded/ 2046 (10 years ago) by gezelter: Fixed some broken comments for use with Doxygen. Made changes to allow topology-based force-field overrides in include files. Fixed a calculation of box quadrupole moments for molecules with point dipoles.
optimization/ 1986 (11 years ago) by gezelter: removed some code that wasn't reachable
parallel/ 1993 (11 years ago) by gezelter: Added sitePotentials for the Choi et al. potential-frequency maps for nitriles
perturbations/ 2047 (10 years ago) by gezelter: Added UniformGradient to perturbation list.
primitives/ 1993 (11 years ago) by gezelter: Added sitePotentials for the Choi et al. potential-frequency maps for nitriles
restraints/ 2024 (10 years ago) by gezelter: Added Radial and Z-projected velocity autocorrelation functions Started to add SequentialProps program Mucking about with angular restraint potentials
rnemd/ 2046 (10 years ago) by gezelter: Fixed some broken comments for use with Doxygen. Made changes to allow topology-based force-field overrides in include files. Fixed a calculation of box quadrupole moments for molecules with point dipoles.
selection/ 2010 (11 years ago) by gezelter: Fixed a selection bug for integer tokens Dielectric script now uses both clausius-mossotti and conducting boundaries
types/ 2048 (10 years ago) by gezelter: Changes for STL libraries that are missing std::to_string
utils/ 2048 (10 years ago) by gezelter: Changes for STL libraries that are missing std::to_string
visitors/ 2049 (10 years ago) by gezelter: Added Geometric HBond StaticProps module.
config.h.cmake 1987 (11 years ago) by gezelter: Removing vestiges of deprecated MPI:: namespace C++ MPI bindings
23 directories and 1 file shown