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Add gapsys softcore function.
[alexxy/gromacs.git]
/
src
/
gromacs
/
gmxpreprocess
/
tests
/
refdata
/
GetIrTest_AcceptsElectricFieldOscillating.xml
diff --git
a/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsElectricFieldOscillating.xml
b/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsElectricFieldOscillating.xml
index 4afc56f511fad2b3b3f92d3139766613b7d32858..81a37d4db7d95aba66d01da2c4220150b89bd71e 100644
(file)
--- a/
src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsElectricFieldOscillating.xml
+++ b/
src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsElectricFieldOscillating.xml
@@
-254,6
+254,7
@@
sc-power = 1
sc-r-power = 6
sc-sigma = 0.3
sc-coul = no
+sc-function = beutler
separate-dhdl-file = yes
dhdl-derivatives = yes
dh_hist_size = 0