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Add gapsys softcore function.
[alexxy/gromacs.git]
/
src
/
gromacs
/
gmxpreprocess
/
tests
/
refdata
/
GetIrTest_AcceptsKeyWithoutValue.xml
diff --git
a/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsKeyWithoutValue.xml
b/src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsKeyWithoutValue.xml
index 2f3bebf7c10abb1bda56a7251e9b46c402143a12..ce9b1c5e7b23b15fc33326f2f9606fd27dee14f5 100644
(file)
--- a/
src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsKeyWithoutValue.xml
+++ b/
src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsKeyWithoutValue.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