Loading cmake/Modules/Documentation.cmake +1 −1 Original line number Diff line number Diff line Loading @@ -29,8 +29,8 @@ if(BUILD_DOC) OUTPUT requirements.txt DEPENDS docenv COMMAND ${CMAKE_COMMAND} -E copy ${LAMMPS_DOC_DIR}/utils/requirements.txt requirements.txt COMMAND ${DOCENV_BINARY_DIR}/pip install -r requirements.txt --upgrade COMMAND ${DOCENV_BINARY_DIR}/pip install --upgrade ${LAMMPS_DOC_DIR}/utils/converters COMMAND ${DOCENV_BINARY_DIR}/pip install --use-feature=2020-resolver -r requirements.txt --upgrade ) # download mathjax distribution and unpack to folder "mathjax" Loading doc/Makefile +1 −1 Original line number Diff line number Diff line Loading @@ -194,7 +194,7 @@ $(VENV): $(VIRTUALENV) -p $(PYTHON) $(VENV); \ . $(VENV)/bin/activate; \ pip install --upgrade pip; \ pip install -r requirements.txt; \ pip install --use-feature=2020-resolver -r requirements.txt; \ deactivate;\ ) Loading doc/src/pair_table.rst +1 −1 Original line number Diff line number Diff line Loading @@ -60,7 +60,7 @@ For the *linear* style, the distance *R* is used to find the 2 surrounding table values from which an energy or force is computed by linear interpolation. For the *spline* style, a cubic spline coefficients are computed and For the *spline* style, cubic spline coefficients are computed and stored for each of the *N* values in the table, one set of splines for energy, another for force. Note that these splines are different than the ones used to pre-compute the *N* values. Those splines were fit Loading src/pair_table.cpp +7 −7 Original line number Diff line number Diff line Loading @@ -458,25 +458,25 @@ void PairTable::read_table(Table *tb, char *file, char *keyword) } if (ferror) error->warning(FLERR,fmt::format("{} of {} force values in table are " error->warning(FLERR,fmt::format("{} of {} force values in table {} are " "inconsistent with -dE/dr.\n Should " "only be flagged at inflection points", ferror,tb->ninput)); ferror,tb->ninput,keyword)); // warn if re-computed distance values differ from file values if (rerror) error->warning(FLERR,fmt::format("{} of {} distance values in table with " "relative error\n over {} to " error->warning(FLERR,fmt::format("{} of {} distance values in table {} " "with relative error\n over {} to " "re-computed values", rerror,tb->ninput,EPSILONR)); rerror,tb->ninput,EPSILONR,keyword)); // warn if data was read incompletely, e.g. columns were missing if (cerror) error->warning(FLERR,fmt::format("{} of {} lines in table were " error->warning(FLERR,fmt::format("{} of {} lines in table {} were " "incomplete\n or could not be parsed " "completely",cerror,tb->ninput)); "completely",cerror,tb->ninput,keyword)); } /* ---------------------------------------------------------------------- Loading Loading
cmake/Modules/Documentation.cmake +1 −1 Original line number Diff line number Diff line Loading @@ -29,8 +29,8 @@ if(BUILD_DOC) OUTPUT requirements.txt DEPENDS docenv COMMAND ${CMAKE_COMMAND} -E copy ${LAMMPS_DOC_DIR}/utils/requirements.txt requirements.txt COMMAND ${DOCENV_BINARY_DIR}/pip install -r requirements.txt --upgrade COMMAND ${DOCENV_BINARY_DIR}/pip install --upgrade ${LAMMPS_DOC_DIR}/utils/converters COMMAND ${DOCENV_BINARY_DIR}/pip install --use-feature=2020-resolver -r requirements.txt --upgrade ) # download mathjax distribution and unpack to folder "mathjax" Loading
doc/Makefile +1 −1 Original line number Diff line number Diff line Loading @@ -194,7 +194,7 @@ $(VENV): $(VIRTUALENV) -p $(PYTHON) $(VENV); \ . $(VENV)/bin/activate; \ pip install --upgrade pip; \ pip install -r requirements.txt; \ pip install --use-feature=2020-resolver -r requirements.txt; \ deactivate;\ ) Loading
doc/src/pair_table.rst +1 −1 Original line number Diff line number Diff line Loading @@ -60,7 +60,7 @@ For the *linear* style, the distance *R* is used to find the 2 surrounding table values from which an energy or force is computed by linear interpolation. For the *spline* style, a cubic spline coefficients are computed and For the *spline* style, cubic spline coefficients are computed and stored for each of the *N* values in the table, one set of splines for energy, another for force. Note that these splines are different than the ones used to pre-compute the *N* values. Those splines were fit Loading
src/pair_table.cpp +7 −7 Original line number Diff line number Diff line Loading @@ -458,25 +458,25 @@ void PairTable::read_table(Table *tb, char *file, char *keyword) } if (ferror) error->warning(FLERR,fmt::format("{} of {} force values in table are " error->warning(FLERR,fmt::format("{} of {} force values in table {} are " "inconsistent with -dE/dr.\n Should " "only be flagged at inflection points", ferror,tb->ninput)); ferror,tb->ninput,keyword)); // warn if re-computed distance values differ from file values if (rerror) error->warning(FLERR,fmt::format("{} of {} distance values in table with " "relative error\n over {} to " error->warning(FLERR,fmt::format("{} of {} distance values in table {} " "with relative error\n over {} to " "re-computed values", rerror,tb->ninput,EPSILONR)); rerror,tb->ninput,EPSILONR,keyword)); // warn if data was read incompletely, e.g. columns were missing if (cerror) error->warning(FLERR,fmt::format("{} of {} lines in table were " error->warning(FLERR,fmt::format("{} of {} lines in table {} were " "incomplete\n or could not be parsed " "completely",cerror,tb->ninput)); "completely",cerror,tb->ninput,keyword)); } /* ---------------------------------------------------------------------- Loading
