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Colvars / colvars Public

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Fix several issues preventing reading state from LAMMPS restart file#579

Merged

giacomofiorin merged 9 commits intomasterColvars/colvars:masterfrom fix-lammps-restartColvars/colvars:fix-lammps-restartCopy head branch name to clipboard

Sep 7, 2023

+577-17

Conversation Commits9 (9)Checks Files changed

Commits

Commits on Sep 6, 2023

Delete input state string from memory
giacomofiorin
committed
Fix placement of diagnostic message
giacomofiorin
committed
Remove premature call to colvarproxy_lammps::setup()
giacomofiorin
committed
Report current timestep and counter
giacomofiorin
committed
Report the step number at which time-dependent restraints begin to change
giacomofiorin
committed
Record first step for moving restraints
giacomofiorin
committed
Amend regression test results to account for first step being embedded in state file
giacomofiorin
committed
Set Colvars input state from buffer within LAMMPS restart
giacomofiorin
committed
Add test for Colvars state being read from LAMMPS binary restart file
giacomofiorin
committed

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