New mdp input for electric fields.
commitca9e2450877d00e491c2150d6185d3f1a68441f4
authorDavid van der Spoel <spoel@xray.bmc.uu.se>
Tue, 31 Oct 2017 12:25:56 +0000 (31 13:25 +0100)
committerMark Abraham <mark.j.abraham@gmail.com>
Thu, 2 Nov 2017 10:58:04 +0000 (2 11:58 +0100)
treef564e95bc2df5f3d7eae433dfd45b5812e232577
parent2aa10dbfaf1e600c977f79ff8d1ba8cdeb59268c
New mdp input for electric fields.

New format for MDP input for electric fields that is consistent
with the manual and that is comprehensible.

Change-Id: I5f9f434080f5217d2473c16377aee962692b9ee9
12 files changed:
docs/manual/special.tex
docs/user-guide/mdp-options.rst
src/gromacs/applied-forces/electricfield.cpp
src/gromacs/applied-forces/tests/electricfield.cpp
src/gromacs/gmxpreprocess/tests/readir.cpp
src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_EmptyInputWorks.xml
src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_HandlesDifferentKindsOfMdpLines.xml
src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_HandlesOnlyCutoffScheme.xml
src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_ProducesOutputFromElectricField.xml
src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_ProducesOutputFromElectricFieldOscillating.xml
src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_ProducesOutputFromElectricFieldPulsed.xml
src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_UserErrorsSilentlyTolerated.xml