Move Ewald splitting-related code to ewald-utils
commitb4ee4b4f034e57e594d10f66d7302e907833a07b
authorSzilárd Páll <pall.szilard@gmail.com>
Tue, 3 Oct 2017 14:04:46 +0000 (3 16:04 +0200)
committerAleksei Iupinov <a.yupinov@gmail.com>
Tue, 3 Oct 2017 20:36:49 +0000 (3 22:36 +0200)
tree1ad64427903314312c98ac7b7c996bf698298453
parent719a00b218ad615ff2c47fb8014c75abec97ac55
Move Ewald splitting-related code to ewald-utils

This code used to be under gromacs/math, but it is an Ewald-only
functionality, so it belongs to the Ewald module.

Change-Id: Ib2d7def243a88b09f328a8ea1bafe27dd7a783d5
src/gromacs/ewald/ewald-utils.cpp [moved from src/gromacs/math/calculate-ewald-splitting-coefficient.cpp with 96% similarity]
src/gromacs/ewald/ewald-utils.h [moved from src/gromacs/math/calculate-ewald-splitting-coefficient.h with 91% similarity]
src/gromacs/gmxana/gmx_pme_error.cpp
src/gromacs/math/CMakeLists.txt
src/gromacs/mdlib/calc_verletbuf.cpp
src/gromacs/mdlib/forcerec.cpp
src/programs/mdrun/runner.cpp