Prashanth Kanduri
Activity
11/10/2020
- 05:54 PM GROMACS Revision 447d3377: NBLIB: Fix build warning from uninitialized array
06/26/2020
- 12:54 PM GROMACS Revision 473da83b: Use SimulatorStateData.
- Implement `SimulatorBuilder.add(SimulatorStateData&&)`
Refs #3567
10/08/2019
- 08:36 AM GROMACS Revision 4501ca8a: Fused two if branches with the same conditional
- Change-Id: I8a1fc90875982f2723d9b2f2ea2d847a33f5866b
04/17/2019
- 06:50 PM GROMACS Revision e03f7387: Move shellfc code to the mdrun module
- This code was previously in mdlib and made use of the force
calculation routines. The introduction of the forceschedu...
03/27/2019
- 02:33 PM GROMACS Revision 7e1a2085: Moving put_atoms_in_box_omp() to pbc.h
- This is another patch in the cleaning efforts of sim_util.
It finally removes sim_util.h
The idea is to only have fu... - 01:04 PM GROMACS Revision f156f692: Getting rid of use_GPU(nbv) function
- Using the useGPU() function build within nonbonded_verlet_t
struct
This is another patch in the cleaning efforts of ... - 11:20 AM GROMACS Revision 607219fd: Move stat function declarations to a new stat.h
- This is another patch in the cleaning efforts of sim_util.
The idea is to only have functions relevant to the force
...
03/19/2019
- 05:12 AM GROMACS Revision 493c83de: Move initialize_lambdas(...) to state
- This is another patch in the cleaning efforts of sim_util.
The idea is to only have functions relevant to the force
...
03/18/2019
- 03:20 PM GROMACS Revision e99220bf: Moving do_constraints_first(...) to constr.h
- This is another patch in the cleaning efforts of sim_util.
The idea is to only have functions relevant to the force
...
02/26/2019
- 10:59 AM GROMACS Revision 08a5681c: Moving finish_run(...) to runner.cpp
- This is another patch in the cleaning efforts of sim_util.
The idea is to only have functions relevant to the force
...
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