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Remove unused velocity scaling enum value
author
Artem Zhmurov
<zhmurov@gmail.com>
Tue, 27 Oct 2020 05:55:20 +0000
(08:55 +0300)
committer
Artem Zhmurov
<zhmurov@gmail.com>
Tue, 27 Oct 2020 05:55:20 +0000
(08:55 +0300)
The velocities are never scaled by a full matrix, hence
the extra value in the enumeration is not needed. Having
extra possible value in the templated parameter may
hurt the compilation time.
src/gromacs/mdlib/leapfrog_gpu.h
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diff --git
a/src/gromacs/mdlib/leapfrog_gpu.h
b/src/gromacs/mdlib/leapfrog_gpu.h
index 7554e6e793dacd482f391ac23728aeabe9e78e99..8bcf5e37a5585f402f7b945c1a7575e5702b1d64 100644
(file)
--- a/
src/gromacs/mdlib/leapfrog_gpu.h
+++ b/
src/gromacs/mdlib/leapfrog_gpu.h
@@
-86,7
+86,6
@@
enum class VelocityScalingType
{
None, //!< Do not apply velocity scaling (not a PR-coupling run or step)
Diagonal, //!< Apply velocity scaling using a diagonal matrix
- Full //!< Apply velocity scaling using a full matrix
};
class LeapFrogGpu