diff --git a/.travis.yml b/.travis.yml index 84a52c48d3216b36272b3f5280147892406197a1..798c330821410821d40490198235755fd97fadc8 100644 --- a/.travis.yml +++ b/.travis.yml @@ -118,12 +118,14 @@ install: - if test -n "$PLUMED_MACPORTS" ; then ./.travis/config.macports.sh ; fi script: -# we enable crystallization and manyrestraints modules - - CONFIG_FLAGS="$CONFIG_FLAGS --enable-modules=crystallization:manyrestraints:adjmat" +# make sure all modules are enabled + - CONFIG_FLAGS="$CONFIG_FLAGS --enable-modules=all" # we enable fftw, which is off by default - CONFIG_FLAGS="$CONFIG_FLAGS --enable-fftw" - if test "$MAKEDOC" == yes ; then CONFIG_FLAGS="$CONFIG_FLAGS --enable-pdfdoc" ; fi - if test "$MAKEDOC" == yes ; then CONFIG_FLAGS="$CONFIG_FLAGS --enable-gcov" ; fi +# when running lcov plumed should be compiled with -O0 + - if test "$MAKEDOC" == yes ; then PLUMED_CXXFLAGS=-O0 ; fi # BUILD: # this is done only if PLUMED_CXX is defined diff --git a/src/colvar/ContactMap.cpp b/src/colvar/ContactMap.cpp index 949f652910f5d8874829be41ddaa511f3b88dfee..d76067209ef4c24b83007bb1bf75ded47699c62b 100644 --- a/src/colvar/ContactMap.cpp +++ b/src/colvar/ContactMap.cpp @@ -46,7 +46,7 @@ The following example calculates switching functions based on the distances betw to a file named colvar. \verbatim -CONTACTMAP ATOMS1=1,2 ATOMS2=3,4 ATOMS3=4,5 ATOMS4=5,6 SWITCH=(RATIONAL R_0=1.5) LABEL=f1 +CONTACTMAP ATOMS1=1,2 ATOMS2=3,4 ATOMS3=4,5 ATOMS4=5,6 SWITCH={RATIONAL R_0=1.5} LABEL=f1 PRINT ARG=f1.* FILE=colvar \endverbatim @@ -61,7 +61,7 @@ ATOMS1=1,2 REFERENCE1=0.1 WEIGHT1=0.5 ATOMS2=3,4 REFERENCE2=0.5 WEIGHT2=1.0 ATOMS3=4,5 REFERENCE3=0.25 WEIGHT3=1.0 ATOMS4=5,6 REFERENCE4=0.0 WEIGHT4=0.5 -SWITCH=(RATIONAL R_0=1.5) +SWITCH={RATIONAL R_0=1.5} LABEL=cmap CMDIST ... CONTACTMAP