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Fix random typos
2021-10-19
Unknown
Resolve UBSAN error in NBLIB test
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2021-03-30
kanduri
Turn t_forcerec.shift_vec into an std::vector of gmx...
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2021-01-28
kanduri
Fix failing listed-forces test
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2020-11-10
kanduri
NBLIB: Fix build warning from uninitialized array
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2020-06-26
Prashanth Kanduri
Use SimulatorStateData.
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2019-10-08
Prashanth Kanduri
Fused two if branches with the same conditional
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2019-04-17
Prashanth Kanduri
Move shellfc code to the mdrun module
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2019-03-27
Prashanth Kanduri
Moving put_atoms_in_box_omp() to pbc.h
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2019-03-27
Prashanth Kanduri
Getting rid of use_GPU(nbv) function
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2019-03-27
Prashanth Kanduri
Move stat function declarations to a new stat.h
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2019-03-19
Prashanth Kanduri
Move initialize_lambdas(...) to state
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2019-03-18
Prashanth Kanduri
Moving do_constraints_first(...) to constr.h
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2019-02-26
Prashanth Kanduri
Moving finish_run(...) to runner.cpp
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2019-02-25
Prashanth Kanduri
Moving do_pbc_mtop(...) functions to pbcutils from...
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2018-02-07
Prashanth Kanduri
Cleaning up do_force_cutsVERLET function from wallcycle...
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