Commits

Commits on Sep 9, 2023

Update README.md
locuoco
committedSep 9, 2023

Commits on Sep 8, 2023

Renamed examples folder to experiments to avoid exclusion from Github linguist
locuoco
committedSep 8, 2023
Added gitattributes
locuoco
committedSep 8, 2023

Commits on Aug 26, 2023

Small fix to modulo functions
locuoco
committedAug 26, 2023

Commits on Jun 2, 2023

Fixed a comment
locuoco
committedJun 2, 2023
Small edits
locuoco
committedJun 2, 2023

Commits on May 14, 2023

Corrected output file and header file location in phase transition programs; camera_controls member pointer in graphics class is now public
locuoco
committedMay 14, 2023

Commits on May 11, 2023

Commits on Apr 27, 2023

Commits on Jan 28, 2023

Commits on Nov 24, 2022

Small fixes and corrections
locuoco
committedNov 24, 2022

Commits on Oct 13, 2022

Added comments on fragment shaders + small edit to README
locuoco
committedOct 13, 2022

Commits on Oct 6, 2022

Improved documentation, and small edits
locuoco
committedOct 6, 2022

Commits on Oct 2, 2022

Added some comments
locuoco
committedOct 2, 2022

Commits on Sep 28, 2022

Added documentation for font.hpp
locuoco
committedSep 28, 2022

Commits on Sep 27, 2022

Fixed README
locuoco
committedSep 27, 2022
Simplified integrators interface, updated README
locuoco
committedSep 27, 2022
Added checks for Runge-Kutta methods and composition schemes, small edits
locuoco
committedSep 27, 2022

Commits on Sep 21, 2022

Corrected FIRE algorithm and its test
locuoco
committedSep 21, 2022
Added test for FIRE energy minimization algorithm
locuoco
committedSep 21, 2022

Commits on Sep 19, 2022

Added thermodynamical_statistics class; small edits
locuoco
committedSep 19, 2022

Commits on Aug 27, 2022

Changed numerical integrators interface: dependence on one template parameter instead of two; method step requires only two parameters instead of three and no template parameter; added method `si…
locuoco
committedAug 27, 2022

Commits on Aug 15, 2022

Small fixes to README, includes and other things
locuoco
committedAug 15, 2022

Commits on Aug 13, 2022

Commits on Aug 8, 2022

Solved accuracy problems with Ewald and PPPM, added parameter optimization for Ewald summation, improved tests for both Ewald and PPPM, added NIST SPC/E reference calculation test for Ewald summati…
locuoco
committedAug 8, 2022

Commits on Aug 1, 2022

Added further documentation for shader.hpp, tensor.hpp, ewald.hpp, pppm.hpp; added tests for tensor.hpp, ewald.hpp, pppm.hpp; refactorized code in ewald.hpp, pppm.hpp; corrected some compilation er…
locuoco
committedAug 1, 2022

Commits on Jul 26, 2022

Changed style and formatting, refactored integrators, graphics and controls code, added tests for helper.cpp, added documentation in many files (not yet for Ewald, PPPM and their tests)
locuoco
committedJul 26, 2022

Commits on Jul 18, 2022

FFT is now more accurate thanks to pre-computed twiddle factors, added a test for PPPM, solved a stupid bug with Lennard-Jones parameters for FBA/eps and TIP3P LR that somehow remained unresolved f…
locuoco
committedJul 18, 2022

Commits on Jul 14, 2022

Corrected Ewald parameter optimization, added long-range dispersion correction
locuoco
committedJul 14, 2022

Commits on Jul 10, 2022