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Ensure there are spaces between the fields in the header #489

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merged 1 commit into from
Aug 8, 2022

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HanatoK
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@HanatoK HanatoK commented Aug 8, 2022

Try to fix #488

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@jhenin jhenin left a comment

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Thank you, this is exactly the patch I was writing in response to your report !

@giacomofiorin
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giacomofiorin commented Aug 8, 2022 via email

@jhenin jhenin merged commit 4c9b5ab into Colvars:master Aug 8, 2022
giacomofiorin added a commit to Colvars/lammps that referenced this pull request May 17, 2023
This update consists exclusively of bugfixes or maintenance-related changes.

The following is a list of pull requests in the Colvars repository since the previous update to LAMMPS:

- 532 Add XYZ trajectory reading feature
  Colvars/colvars#532 (@jhenin, @giacomofiorin)

- 531 Delete objects quietly, unless explicitly requested via script (including VMD)
  Colvars/colvars#531 (@giacomofiorin)

- 530 Append newline to log and error messages if not already present
  Colvars/colvars#530 (@giacomofiorin)

- 528 Forward-declare OpenMP lock
  Colvars/colvars#528 (@giacomofiorin)

- 527 Remove unneeded STL container
  Colvars/colvars#527 (@giacomofiorin)

- 526 Allow collecting configuration files and strings before setting up interface
  Colvars/colvars#526 (@giacomofiorin, @jhenin)

- 523 Fallback to linearCombination when customFunction is missing in customColvar
  Colvars/colvars#523 (@HanatoK, @giacomofiorin)

- 522 Use iostream::fail() to check for I/O error
  Colvars/colvars#522 (@jhenin)

- 520 Fix ref count
  Colvars/colvars#520 (@giacomofiorin)

- 513 Set target temperature through a common code path
  Colvars/colvars#513 (@giacomofiorin, @jhenin)

- 509 Safer detection of Windows with recent Microsoft Visual Studio versions
  Colvars/colvars#509 (@akohlmey)

- 508 Update LAMMPS patching method to reflect Lepton availability
  Colvars/colvars#508 (@giacomofiorin)

- 497 Increase the precision of write_multicol
  Colvars/colvars#497 (@HanatoK)

- 496 Only perform MTS automatic enable/disable for timeStepFactor > 1
  Colvars/colvars#496 (@giacomofiorin)

- 493 Remove unused branch of quaternion input function
  Colvars/colvars#493 (@giacomofiorin)

- 489 Ensure there are spaces between the fields in the header
  Colvars/colvars#489 (@HanatoK)

- 487 Use map of output streams, and return references to its elements
  Colvars/colvars#487 (@giacomofiorin, @jhenin)

- 486 Remember first step of moving restraint
  Colvars/colvars#486 (@jhenin)

- 485 Add decoupling option for moving restraints
  Colvars/colvars#485 (@jhenin)

- 483 Update Lepton via patching procedure
  Colvars/colvars#483 (@giacomofiorin)

- 481 Make file-reading operations of input data abstractable
  Colvars/colvars#481 (@giacomofiorin)

Authors: @akohlmey, @giacomofiorin, @HanatoK, @jhenin
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Incorrect format in the CZAR pmf file
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