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Commits : Listings

Analyzed about 1 year ago. based on code collected about 1 year ago.
Jan 18, 2023 — Jan 18, 2024
Commit Message Contributor Files Modified Lines Added Lines Removed Code Location Date
Added NPT integrator & example in bond/homopolyer/N32
Jens Glaser
More... over 12 years ago
Corrected error in maximum Structure factor calculation. Included output of useful data in BennettsMethod.
Pavani Medapuram Lakshmi Narasimha
More... over 12 years ago
Edited src/ddMd/TODO
dmorse
as David Morse
More... over 12 years ago
Editing doc/notes on rollback and extensibility.
dmorse
as David Morse
More... over 12 years ago
Merge branch 'master' of github.com:/dmorse/simpatico
dmorse
as David Morse
More... over 12 years ago
Added OUTPUT_PAIRLIST_STATS command for DdMd::Simulation.
dmorse
as David Morse
More... over 12 years ago
Adding notes on rollback features in doc/notes/ddMd.
dmorse
as David Morse
More... over 12 years ago
Added TwoStepIntegrator based class for Nve & Nvt integrators.
dmorse
as David Morse
More... over 12 years ago
Merge branch 'master' of github.com:/dmorse/simpatico
dmorse
as David Morse
More... over 12 years ago
In DdMd, added explicit commands to output statistics.
dmorse
as David Morse
More... over 12 years ago
Editing examples/README file.
dmorse
as David Morse
More... over 12 years ago
Added output file to DdMd::OutputPressure diagnostic.
dmorse
as David Morse
More... over 12 years ago
Merge branch 'master' of github.com:/dmorse/simpatico
dmorse
as David Morse
More... over 12 years ago
Merge branch 'master' of github.com:/dmorse/simpatico
dmorse
as David Morse
More... over 12 years ago
Added kinetic stress, OutputPressure diagnostic.
dmorse
as David Morse
More... over 12 years ago
Fixed bugs in DdMd pair and bond stress computation.
dmorse
as David Morse
More... over 12 years ago
Removing Nullable class (replaced by Setable).
dmorse
as David Morse
More... over 12 years ago
Derive Angle, Dihedral Potentials from Potential, added computeStress methods.
dmorse
as David Morse
More... over 12 years ago
Added Setable class (replacement for Nullable).
dmorse
as David Morse
More... over 12 years ago
Adding pressure/stress to DdMd::Simulation, and adding pressure diagnostic. Also change to L32 to N32, etc. in bond examples.
dmorse
as David Morse
More... over 12 years ago
Changed bond and pair potentials to subclasses of Potential, added computeStress methods to both.
dmorse
as David Morse
More... over 12 years ago
Add Nullable class template and tests.
dmorse
as David Morse
More... over 12 years ago
Fixed error in PairPotentialImpl.h
dmorse
as David Morse
More... over 12 years ago
Added stress methods to DdMd PairPotential classes.
dmorse
as David Morse
More... over 12 years ago
Merge branch 'master' of github.com:/dmorse/simpatico
dmorse
as David Morse
More... over 12 years ago
Editing notes on MpiPlan, ddMd/TODO, superficial stuff in Buffer.cpp
dmorse
as David Morse
More... over 12 years ago
Fixed dir.txt files in tests directory.
dmorse
as David Morse
More... over 12 years ago
Fixed bug in util/boundary/serialize.h, initialization order in MdSimulation, edited documentation.
dmorse
as David Morse
More... over 12 years ago
Merge remote-tracking branch 'upstream/master'
dmorse
as David Morse
More... over 12 years ago
Editing documentation, including in MonoclinicBoundary class.
dmorse
as David Morse
More... over 12 years ago