Colvars release notes

The following is a list of all pull requests (PRs) merged into the master branch of the Colvars GitHub repository. Please note that we began using PRs routinely only since about 2019: earlier developments are described by individual commits.

PRs that are specific to certain engines or fix earlier bugs are marked accordingly. Bugfixes are also back-ported onto maintenance releases of the packages that embed Colvars.

• 2026-02-09 fix: the macros of determining the device code should be reversed [#917] (labels: bugfix)
• 2026-01-22 Do not require harmonic walls start with nonzero k [#906]
• 2026-01-13 Fix: Implement numerically safe switching function [#904]
• 2025-12-17 Fix reinitialization issues when using total forces in NAMD [#887] (labels: NAMD bugfix)
• 2025-12-16 fix: initialize variable, appease Coverity [#901]
• 2025-12-12 Implement RMSD on GPU [#881]
• 2025-12-05 Warn when discarding state of unknown object [#893]
• 2025-12-05 Trap floating-point exceptions [#877]
• 2025-12-05 Copy Colvars CUDA source code to all supported platforms [#890]
• 2025-12-04 fix: fix the out-of-bound access in from_simple_string [#897] (labels: bugfix)
• 2025-11-26 fix: accept extended Lagrangian colvars in VMD [#895] (labels: VMD bugfix)
• 2025-11-26 doc: urge users the importance of specifying names for sub-CVs [#896]
• 2025-11-21 build: guard the CUDAGM interface by NAMD_CUDA and NAMD_HIP macros [#888]
• 2025-11-20 feat: Emphasize Colvars error message in NAMD [#889] (labels: NAMD)
• 2025-11-15 fix: fix the typo in using accumulate_cpu_force_kernel [#883]
• 2025-11-14 [RFC] Calculate atom groups on GPU [#826]
• 2025-11-14 Separate NAMD GlobalMaster and colvarproxy_namd classes [#803] (labels: NAMD)
• 2025-10-15 Fix debug gradients recalc gradients [#868]
• 2025-10-13 Make non-MTS colvars always awake [#866]
• 2025-09-18 opt: optimize the forces or gradients from q to the fitting group [#849]
• 2025-09-18 Moving harmonic walls - unify moving restraint logic [#851]
• 2025-09-05 fix: update the total charge and total mass from AOS to SOA [#854] (labels: bugfix)
• 2025-09-05 Remove legacy Makefile support for LAMMPS package [#853] (labels: LAMMPS)
• 2025-09-05 Fix cut and paste error in dipole_angle gradients [#856] (labels: bugfix)
• 2025-08-30 Optimize the calculation of fit gradients and update the documentation (fix #560) [#839]
• 2025-08-29 Define version numbers outside of headers [#847]
• 2025-08-27 More functional tests [#838] (labels: bugfix)
• 2025-08-22 Gradient tests [#831] (labels: bugfix)
• 2025-08-21 fix: fix a potential issue of "fit gradients" for non-scalar components with only centering but not rotating [#824] (labels: bugfix)
• 2025-08-21 Initialize quaternions to zero, rotations to unity [#835]
• 2025-08-20 fix: try fixing the orientation sign [#829] (labels: bugfix)
• 2025-08-19 fix: fix the gradients of the eigenvector CVC [#828] (labels: bugfix)
• 2025-07-30 Account for NAMD's GlobalMasterFrequency in all biases [#818] (labels: NAMD)
• 2025-07-25 Documentation for torchann and a minor change [#822]
• 2025-07-10 fix: fix the NVTX3 library linkage in the NAMD CudaGM interface [#821] (labels: NAMD)
• 2025-07-08 Account for NAMD's GlobalMasterFrequency in ABF [#795] (labels: NAMD)
• 2025-07-07 Dashboard improvements [#811] (labels: VMD)
• 2025-06-27 [RFC] Change the atom group to SOA [#788]
• 2025-06-26 Support the NAMD CudaGlobalMaster interface on HIP [#810] (labels: NAMD)
• 2025-06-10 fix: fix the calculation of bias factor with off-grid hills [#808] (labels: bugfix)
• 2025-05-26 Correctly implement parallel OPES [#794]
• 2025-05-23 Preparation work for Weighted Poisson integration [#799]
• 2025-05-12 [RFC] Example use of NAMD CudaGlobalMaster interface [#783] (labels: NAMD)
• 2025-04-30 fix: synchronize the reduction change from NAMD [#801] (labels: NAMD)
• 2025-04-30 Rename m_output_index to output_component in torchANN [#798]
• 2025-04-29 Add torchANN documentation [#797]
• 2025-04-18 Custom grids for all biases [#733]
• 2025-04-08 New tool poisson_integrator_conv [#752]
• 2025-04-07 Fix restarting lambda-dynamics with NAMD [#787] (labels: NAMD bugfix)
• 2025-04-05 Fix the NAMD unified reduction [#775] (labels: NAMD)
• 2025-03-31 [RFC] Add an option to parallelize the inner loops instead of CVCs [#780]
• 2025-03-26 Synchronize the changes in tracked LAMMPS files and small bugfix [#785] (labels: LAMMPS bugfix)
• 2025-03-21 fix: fix the use of Charm++ locks and CkLoop [#782] (labels: NAMD)
• 2025-03-10 Avoid error in acos and asin with fast-math [#776]
• 2025-02-26 Interoperate with alchLambdaFreq in NAMD [#770] (labels: NAMD)
• 2025-02-26 Dashboard improvements [#751] (labels: VMD)
• 2025-02-25 fix: fix the clang build test failure of OPES [#773]
• 2025-02-25 fix: clamp the input values of asin and acos in case of fast math on aarch64 [#768]
• 2025-02-10 fix: use -DCOLVARS_TORCH instead of -DTORCH for NAMD with torchANN [#766] (labels: NAMD)
• 2025-02-06 Prepare for the change of the NAMD reduction interface [#732] (labels: NAMD)
• 2024-12-23 Add debug code for the Jacobi failure [#761]
• 2024-12-19 Lambda-ABF implementation for the NAMD interface [#649] (labels: NAMD)
• 2024-12-16 min_image fix; Saves long runs from crashes; [#759] (labels: LAMMPS bugfix)
• 2024-12-06 Fix indentation of 'Init CVC' message in standard output [#755] (labels: bugfix)
• 2024-12-06 Fix MSVC OpenMP issue [#757]
• 2024-11-22 Add references to new Colvars paper [#749]
• 2024-11-18 Optimize and simplify the calculation of dihedral gradients [#750]
• 2024-11-14 enable use of CVs defined by PyTorch neural network models [#570]
• 2024-11-13 Optimize the fit gradients [#729]
• 2024-11-13 Improve detection of hard/mathematical boundaries [#731]
• 2024-11-11 Enable and test mwABF in GROMACS [#735]
• 2024-11-08 Report the specific C++ standard at init time, stop warning about C++97/03 [#740]
• 2024-11-08 Protein-specific coordinates based on index groups [#666] (labels: GROMACS)
• 2024-10-26 Add ConfigList.h in colvarproxy_namd.C [#743]
• 2024-10-17 Fix undefined behavior when getting the current working directory from std::filesystem [#728] (labels: bugfix)
• 2024-10-16 Implementation of OPES in Colvars [#709]
• 2024-10-15 fix: try to solve #87 for non-scala components [#713] (labels: bugfix)
• 2024-10-11 Fix gradients and metric functions of distanceDir [#724] (labels: bugfix)
• 2024-10-11 Add patchversion scripting command [#727]
• 2024-10-05 Integrate multiple-replicas MPI communicator into library, support GROMACS multisim [#720] (labels: GROMACS)
• 2024-09-23 BUGFIX for Segmentation fault in colvarbias_meta::calc_energy() with useGrids off [#706] (labels: bugfix)
• 2024-09-17 Import fixes and changes from GROMACS repo [#718]
• 2024-09-17 Add missing rotation in orientation component [#715] (labels: bugfix)
• 2024-08-26 Better handling of faulty configs in Dashboard [#708]
• 2024-07-27 Fix harmless memory error in standalone tool [#697]
• 2024-07-05 Do not try accessing LAMMPS proxy object before allocating it [#701] (labels: bugfix)
• 2024-06-04 Implement ABMD as a built-in biasing method [#682]
• 2024-05-28 More robust condition to decide when biases run on thread 0 [#694] (labels: bugfix)
• 2024-05-24 Fix restarting mwABF simulations [#686]
• 2024-05-15 Add Colvars logo [#692]
• 2024-04-11 Track patch version [#681]
• 2024-03-19 Fix initialization of histogram output files and move it to the right place [#675] (labels: bugfix)
• 2024-03-14 Stop initializing cvs after atom group init fail [#674] (labels: bugfix)
• 2024-03-13 Clarify purpose of functions that only handle PDB files anyway [#673]
• 2024-03-12 Several improvements to colvar component classes [#643]
• 2024-03-12 More informative XYZ file reading errors [#650]
• 2024-03-12 Collected ABF improvements [#615]
• 2024-03-12 Backup files consistently with GROMACS standard [#670] (labels: GROMACS)
• 2024-03-11 Restore Lepton support in GROMACS main branch [#668] (labels: GROMACS)
• 2024-02-23 Dashboard button to load colvars traj [#660]
• 2024-02-11 Allow empty string as cvc config [#658]
• 2024-01-16 Allow NumPy-format output for plot_colvars_traj.py [#648]
• 2024-01-03 Modify the parameters of test 032 so that GPU-resident NAMD is easier to pass [#645]
• 2023-12-08 Don't strip input state file in GROMACS (pre-2024) [#642]
• 2023-12-05 Use 64bit integers to store prev timestep [#640] (labels: bugfix)
• 2023-12-04 Only distribute biases over threads if they don't need I/O [#638] (labels: bugfix)
• 2023-11-29 Push updated documentation through CI jobs [#636]
• 2023-11-29 Fix OpenMP support in LAMMPS and GROMACS [#628] (labels: LAMMPS GROMACS bugfix)
• 2023-11-29 Delete redundant manual links [#635]
• 2023-11-28 Several fixes to documentation [#623]
• 2023-11-28 New keyword format in documentation [#634]
• 2023-11-28 Fix MSVC 2022 warning [#632]
• 2023-11-28 Define programmatically the available CVC types, report them in case of errors [#629]
• 2023-11-20 Apply @zwpku's fix to colvargid::get_grad [#622]
• 2023-11-15 Allow using a Colvars input state file instead of binary checkpoint in GROMACS [#610] (labels: GROMACS)
• 2023-11-08 Remove patch for GROMACS source code after GitLab merge [#620] (labels: GROMACS)
• 2023-11-02 Update doc for Tinker-HP [#614]
• 2023-11-02 Update GROMACS interface files [#618] (labels: GROMACS)
• 2023-10-25 Build HTML doc from within Colvars worktree [#606]
• 2023-10-23 Unit test for incorrect input [#609]
• 2023-10-18 fix missing patch for cpt for GROMACS 2023 [#607]
• 2023-10-17 Switch to Sans Serif font for documentation [#604]
• 2023-10-13 Only compute virial when requested in Gromacs [#600]
• 2023-10-12 Use pre-built Tcl 8.6 library from UIUC [#602]
• 2023-09-27 Merge GROMACS MDModules interface [#584] (labels: GROMACS)
• 2023-09-25 Unformatted (binary) checkpointing [#558]
• 2023-09-25 Allow redefining outputPrefix in NAMD [#591] (labels: NAMD)
• 2023-09-21 Reset error code when invoking colvarmodule::reset() [#589]
• 2023-09-21 Option to run NAMD regtests in GPU-resident mode [#559]
• 2023-09-21 Initialize integer and floating point members of colvar class [#590] (labels: bugfix)
• 2023-09-21 Improve rotation [#585]
• 2023-09-19 Track date-based CV dashboard versions [#586]
• 2023-09-19 Improve the NeuralNetwork CV [#587]
• 2023-09-19 Default param for set_unit_system [#573]
• 2023-09-15 BAOA integrator for extended Lagrangian dynamics [#507]
• 2023-09-07 Fix several issues preventing reading state from LAMMPS restart file [#579] (labels: LAMMPS bugfix)
• 2023-09-05 Support for GROMACS 2023 [#562]
• 2023-09-05 Move Python, C_fortran, stubs to misc_interfaces/ [#572]
• 2023-09-05 Major updates of the arithmetic PCV code [#564]
• 2023-09-05 Fix #569 and allow mixing scalar and vector CVCs [#571]
• 2023-08-29 Set CVC description consistently [#568]
• 2023-08-21 Separate checking the name of the bias from reading its state data [#556] (labels: bugfix)
• 2023-08-21 Initialize the list of variables early to restore --list-variables option [#552] (labels: bugfix)
• 2023-07-21 Fix gpath simulations after PR #541 [#555]
• 2023-07-18 Optimize the RMSD calculation [#541]
• 2023-07-06 fix clang12 warnings [#547]
• 2023-06-23 Update required C++ language version to C++11 [#548]
• 2023-06-20 Write the hill trajectory in write_output_files instead of in add_hill and delete_hill [#545]
• 2023-06-12 Full functional test without back-end [#539]
• 2023-06-11 Initialize NAMD ID map entry immediately when requesting a new atom [#537] (labels: NAMD bugfix)
• 2023-06-04 Extend support for fix_modify to remaining script API commands [#418] (labels: LAMMPS)
• 2023-05-03 Add XYZ trajectory reading feature [#532]
• 2023-05-01 Delete objects quietly, unless explicitly requested via script (including VMD) [#531]
• 2023-04-21 Allow collecting configuration files and strings before setting up interface [#526]
• 2023-04-18 Remove unneeded container [#527]
• 2023-04-17 Fallback to linearCombination when customFunction is missing in customColvar [#523]
• 2023-04-12 Use iostream::fail() to check for I/O error [#522]
• 2023-01-31 Set target temperature through a common code path [#513]
• 2023-01-17 fix Uninitialized variables in GROMACS source tree. [#512] (labels: GROMACS bugfix)
• 2022-12-16 colvarbias_reweightaMD::write_output_files() has been called in the main thread. [#506] (labels: NAMD bugfix)
• 2022-11-08 Accept multiple config files from NAMD (preliminary work) [#502] (labels: NAMD)
• 2022-10-24 Fix cvm not properly destructed in VMD [#500] (labels: VMD bugfix)
• 2022-09-23 Remember first step of moving restraint [#486]
• 2022-09-13 Increase the precision of write_multicol [#497]
• 2022-09-08 Only perform MTS automatic enable/disable for timeStepFactor > 1 [#496]
• 2022-09-02 Add decoupling option for moving restraints [#485]
• 2022-08-08 Ensure there are spaces between the fields in the header [#489]
• 2022-05-24 Fix integer overflow in log_gradient_finite_diff and gradient_finite_diff [#482]
• 2022-05-14 Speed up plot_colvars_traj and add conversion to pandas dataframe [#479]
• 2022-05-04 Ignore a keyword if it has content to the left of it (regardless of braces) [#312]
• 2022-05-04 Add examples of histogram configuration, with and without explicit grid parameters [#468]
• 2022-05-02 Allow normalizing eigenvector vector components to deal with unit change [#474]
• 2022-04-14 Fix extended Lagragian CVs in VMD [#472] (labels: VMD bugfix)
• 2022-04-06 Embedded tcl [#432]
• 2022-04-01 Better error handling in the initialization of NeuralNetwork CV [#470]
• 2022-03-15 Support Lepton in GROMACS build [#461] (labels: GROMACS)
• 2022-03-10 Fix #463 using more fine-grained features [#464] (labels: bugfix)
• 2022-02-18 Add a script in colvartools for extracting the weights and biases from [#454]
• 2022-02-09 [RFC] New option "scaledBiasingForce" for colvarbias [#447]
• 2022-02-09 [RFC] Implementation of dense neural network as CV [#444]
• 2022-01-24 Fix explicit gradient dependency of sub-CVs [#443]
• 2021-12-21 Persistent bias count [#442] (labels: bugfix)
• 2021-12-17 Handle biases in VMD Colvars Dashboard [#438] (labels: VMD)
• 2021-12-07 Return type of bias from scripting interface [#437]
• 2021-11-30 Implement OSRW [#429] (labels: TinkerHP)
• 2021-11-26 Prevent double-free in linearCombination [#433] (labels: bugfix)
• 2021-11-26 Patch for Gromacs 2021.X [#411] (labels: GROMACS)
• 2021-11-26 More flexible use of boundaries from colvars by grids [#434]
• 2021-11-03 More complete documentation for index file format (NDX) [#428]
• 2021-09-21 Set GMX_VERSION_STRING_OF_FORK while patching when it is available [#423] (labels: GROMACS)
• 2021-08-31 Display energy and atomic force statistics in the Dashboard window [#397] (labels: VMD)
• 2021-08-30 Generate citation report while running computations [#419]
• 2021-08-11 REMD support for Gromacs [#413] (labels: GROMACS)
• 2021-08-11 On-the-fly reweighting of accelerated MD [#409] (labels: NAMD)
• 2021-08-03 Rebin metadynamics bias from explicit hills when available [#415]
• 2021-03-25 Fix periodic wrapping of custom CV in colvar::dist2, colvar::dist2_lgrad and colvar::dist2_rgrad. [#404]
• 2021-03-10 Warn when non-ASCII characters are used in a configuration [#400]
• 2021-03-09 Fix atom masses not being set after initialization [#399]
• 2021-03-02 Access atomic data via scripting interface [#393]
• 2021-01-25 Correct the documentation of apathCV. [#391]
• 2021-01-19 Implement centerToOrigin [#387]
• 2020-11-30 Implement the euler angles from the orientation component. [#383]
• 2020-11-25 Use a t_atoms struct for holding atoms information in proxy [#384] (labels: GROMACS bugfix)
• 2020-11-13 Update repo documentation for Gromacs [#380] (labels: GROMACS)
• 2020-10-28 Replace sections of VMD and NAMD user guides with links to GitHub Pages [#375]
• 2020-10-26 Fix #368 in aspathCV and azpathCV. [#373] (labels: NAMD bugfix)
• 2020-10-26 Enforce and document XYZ file format [#370]
• 2020-10-22 VMD and internal-frame NAMD volmaps interface [#366] (labels: NAMD VMD)
• 2020-10-22 GROMACS documentation fixes [#371] (labels: GROMACS)
• 2020-10-21 Gromacs integration [#190] (labels: GROMACS)
• 2020-09-18 Format code examples with colored background [#361]
• 2020-07-07 Skip the zero-step also when multiple run commands are executed in sequence [#357]
• 2020-05-04 Add front-end for volumetric map-based collective variables [#349]
• 2020-04-24 Load/save state information from/to strings for the module or for individual biases [#346]
• 2020-04-24 Do not accumulate data at step 0 [#345]
• 2020-04-10 Support for symmetry permutations of atoms in RMSD [#344]
• 2020-04-09 Detect new grid parameters [#341]
• 2020-04-07 Only access the output streams in non-threaded regions [#338] (labels: bugfix)
• 2020-04-07 Colvars doc update and question regarding including in VMD/NAMD manual [#327]
• 2020-03-23 Fix incomplete setting of default colvarsRestartFrequency [#334] (labels: bugfix)
• 2020-03-17 Fix typo [#333]
• 2020-03-12 Implement reflecting b.c. for ext Lagrangian [#329]
• 2020-03-12 Convert the input keyword to lowercase in read_state_data_key [#332]
• 2020-03-10 Show mandatory script arguments as in help [#330]
• 2020-02-27 Access scripting command database programmatically [#316]
• 2020-02-26 Allow setting sigma parameter directly for metadynamics [#325]
• 2020-02-25 Remove default values for lowerWall and upperWall legacy keywords [#324]
• 2020-02-14 Flexible restart-reading [#320]
• 2020-01-31 biasActualColvar option to bypass extended-Lagragian for a bias [#321]
• 2020-01-27 Provide access to select parameters from the CVCs [#310]
• 2020-01-16 Fix error check when loading an old state file [#317] (labels: bugfix)
• 2019-12-17 More flexible gradient scale in Dashboard [#314]
• 2019-12-09 Dashboard: auto-updating atom selections [#308]
• 2019-12-09 Automated installation of Dashboard files [#309] (labels: VMD)
• 2019-12-07 Split off dependency file for NAMD (minimize conflicts between repos) [#307] (labels: NAMD)
• 2019-12-06 Get current VMD molid from [cv molid] [#305] (labels: VMD)
• 2019-12-05 Support different unit systems [#295]
• 2019-12-05 Allow redefining existing index groups (warn when this happens) [#302]
• 2019-11-22 bias_energy for ABF [#294]
• 2019-11-22 Document compilation details that affect features [#293]
• 2019-11-22 Checking if the number of reference frames < 3 in gpath. [#298]
• 2019-10-29 Small maintenance improvements [#289]
• 2019-10-23 Reduce compiler warnings [#291]
• 2019-10-23 Add tests for geometric path collective variables. [#271]
• 2019-10-21 Fix reading path file with vector CVCs. [#288]
• 2019-10-18 Require C++11 for Lepton [#287]
• 2019-10-14 Fix segfault at deleting CVBasedPath [#286]
• 2019-10-14 Add CMake recipe for tests [#285]
• 2019-10-10 Include header in all files rather than patching them upon install [#283]
• 2019-10-10 Add Makefile useful for compilation tests [#284]
• 2019-10-09 Parrinello's (arithmetic) pathCV in CV space. [#274]
• 2019-09-06 Jh fixes [#282]
• 2019-08-17 Fix race condition when starting a bundle of walkers [#279] (labels: NAMD)
• 2019-08-05 Fix group2centeronly [#278] (labels: bugfix)
• 2019-08-03 Update NAMD Make.depends based on C++11-only dependencies [#277]
• 2019-08-01 Minimize occurrence of file-read errors in multiple-walker metadynamics [#276]
• 2019-07-23 Better error messages for RMSD [#272]
• 2019-07-12 Remove output files from .gitignore [#268]
• 2019-07-12 Document issues with FE from stratified eABF [#267]
• 2019-07-05 Fix initialization of eigenvector::ref_pos_center [#264]
• 2019-07-05 Add README about C++11 support [#266]
• 2019-07-03 Implementation of the geometric path collective variables [#249]
• 2019-07-02 Ebmeta free doc [#261]
• 2019-06-06 Corretted bug on multiple walkers metadynamics, pmf included two time… [#259] (labels: bugfix)
• 2019-04-16 Collect atomic gradients for combination cvcs [#247]
• 2019-04-15 Fix forces and missing output of runtime histogram for histogramRestraint [#246] (labels: bugfix)
• 2019-04-12 Fix inconsistency in the sign of the free-energy gradient in writeTISamples [#248]
• 2019-03-25 Provide accessor to center-of-mass gradient of scalar variables [#243]
• 2019-03-21 Use 64-bit integers to store simulation step numbers [#241]
• 2019-03-21 Add Dashboard feature to display cv gradients [#238]
• 2019-03-20 Write the head of a pmf file [#240]
• 2019-03-18 Resolve issue #227 by moving deps functions to derived classes [#236]
• 2019-03-18 Prototype for using fix_modify to forward commands to colvars in LAMMPS [#216] (labels: LAMMPS)
• 2019-03-18 Allow parsing a keyword repeatedly [#234]
• 2019-03-15 Fix #226 by unregistering named atom groups [#233]
• 2019-03-04 Some doxygen comments, remove unused params [#230]
• 2019-03-03 Emphasize in the doc that keywords are only accepted on new lines [#229]
• 2019-02-27 Dashboard option to display atoms involved in cvs [#220] (labels: VMD)
• 2019-02-26 Fix: #224 plotting multicomponent colvars [#225] (labels: bugfix)
• 2019-02-20 Clarify when new-style wall force constants are scaled [#219]
• 2019-02-12 Added stochastic velcocity rescaling and Lowe Anderson thermostats to NAMD proxy. [#218] (labels: NAMD)
• 2019-02-07 Parser improvements [#196]
• 2019-02-07 Fix missing initialization of the CVC base object [#214] (labels: bugfix)
• 2019-01-17 Extended fix [#210] (labels: bugfix)
• 2019-01-14 Print group masses and charges only after being updated [#206]
• 2019-01-08 Add regression test results for dipoleAngle and dipoleMagnitude [#208]
• 2018-12-21 Split CVC docs into subsections [#205]
• 2018-12-21 If regtests fail, try lower precision [#204]
• 2018-12-21 Fix ignored anisotropic cutoff3 for groupCoordNum [#202] (labels: bugfix)
• 2018-12-21 Compiler fixes [#203]
• 2018-12-20 Do not integrate extended colvars outside MD [#201]
• 2018-12-18 Added dipoleMagnitude colvar. Docs updated also. [#198]
• 2018-12-14 Allow dependency resolution when base's and derivative's features conflict [#199]
• 2018-11-21 Minimal changes to limit width of HTML doc page [#189]
• 2018-11-16 Fix several issues with running average and correlation functions [#194]
• 2018-11-16 Check that the current frame still exists [#195]
• 2018-10-30 Implement cv save in ABF [#188]
• 2018-10-29 Documentation improvements [#185]
• 2018-10-16 Make behavior for pairlists consistent under bias. [#162]
• 2018-10-15 Documentation improvements [#183]
• 2018-10-12 Linear bias vector [#182]
• 2018-09-23 More documentation fixes [#180]
• 2018-09-17 Document syntax changes from older versions to deal with outdated tutorials [#178]
• 2018-09-13 State long-term support of old-style walls without deprecating them [#175]
• 2018-09-08 Warn only, but do not try to fix zero-mass problems [#174]
• 2018-09-07 Raise error when walls coincide in non-trivial ways [#173]
• 2018-08-18 Raise error when the same keyword is being used repeatedly [#170]
• 2018-08-08 Jerome misc [#167]
• 2018-07-26 Test for PDB flags handling in load_coords [#165]
• 2018-07-25 Check for matching braces before beginning to parse [#164]
• 2017-09-05 Umbrella integration-based estimator for eABF [#124]
• 2017-06-26 Clean up the colvarproxy API [#122]
• 2017-03-15 Allow colvarscript to process object pointers [#111]
• 2015-07-21 Cvc off [#42]
• 2015-03-28 Preliminary GROMACS interface [#35] (labels: GROMACS)
• 2014-11-10 Removed result<0 gives error for [cv bias abf1 bin] [#30]
• 2014-10-22 Fixed tests for MW ABF. [#28]
• 2014-10-21 Manual entries for shared and sharedFreq keywords for shared ABF [#27]
• 2014-10-21 Added multiple-walker ABF tests. [#25]
• 2014-10-21 Added multiple-walker ABF code [#24]
• 2014-08-07 Adaptive linear bias [#18]
• 2013-06-19 Reset masses [#12]

This page was last updated on: 2026-02-17