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use utils::inumeric() instead of utils::numeric() for integers

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Axel Kohlmeyer
2025-06-23 06:57:51 -04:00
parent 9d6758f269
commit 8401b6aee8
1 changed files with 12 additions and 12 deletions
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24
src/AMOEBA/amoeba_file.cpp
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@ -518,32 +518,32 @@ void PairAmoeba::read_keyfile(char *filename)
} else if (keyword == "pme-order") { } else if (keyword == "pme-order") {
if (nwords != 2) error->all(FLERR, "AMOEBA keyfile line is invalid"); if (nwords != 2) error->all(FLERR, "AMOEBA keyfile line is invalid");
bseorder = utils::numeric(FLERR, words[1], false, lmp); bseorder = utils::inumeric(FLERR, words[1], false, lmp);
} else if (keyword == "ppme-order") { } else if (keyword == "ppme-order") {
if (nwords != 2) error->all(FLERR, "AMOEBA keyfile line is invalid"); if (nwords != 2) error->all(FLERR, "AMOEBA keyfile line is invalid");
bsporder = utils::numeric(FLERR, words[1], false, lmp); bsporder = utils::inumeric(FLERR, words[1], false, lmp);
} else if (keyword == "dpme-order") { } else if (keyword == "dpme-order") {
if (nwords != 2) error->all(FLERR, "AMOEBA keyfile line is invalid"); if (nwords != 2) error->all(FLERR, "AMOEBA keyfile line is invalid");
bsdorder = utils::numeric(FLERR, words[1], false, lmp); bsdorder = utils::inumeric(FLERR, words[1], false, lmp);
} else if (keyword == "pme-grid") { } else if (keyword == "pme-grid") {
if (nwords != 2 && nwords != 4) error->all(FLERR, "AMOEBA keyfile line is invalid"); if (nwords != 2 && nwords != 4) error->all(FLERR, "AMOEBA keyfile line is invalid");
if (nwords == 2) if (nwords == 2)
nefft1 = nefft2 = nefft3 = utils::numeric(FLERR, words[1], false, lmp); nefft1 = nefft2 = nefft3 = utils::inumeric(FLERR, words[1], false, lmp);
else { else {
nefft1 = utils::numeric(FLERR, words[1], false, lmp); nefft1 = utils::inumeric(FLERR, words[1], false, lmp);
nefft2 = utils::numeric(FLERR, words[2], false, lmp); nefft2 = utils::inumeric(FLERR, words[2], false, lmp);
nefft3 = utils::numeric(FLERR, words[3], false, lmp); nefft3 = utils::inumeric(FLERR, words[3], false, lmp);
} }
pmegrid_key = 1; pmegrid_key = 1;
} else if (keyword == "dpme-grid") { } else if (keyword == "dpme-grid") {
if (nwords != 2 && nwords != 4) error->all(FLERR, "AMOEBA keyfile line is invalid"); if (nwords != 2 && nwords != 4) error->all(FLERR, "AMOEBA keyfile line is invalid");
if (nwords == 2) if (nwords == 2)
ndfft1 = ndfft2 = ndfft3 = utils::numeric(FLERR, words[1], false, lmp); ndfft1 = ndfft2 = ndfft3 = utils::inumeric(FLERR, words[1], false, lmp);
else { else {
ndfft1 = utils::numeric(FLERR, words[1], false, lmp); ndfft1 = utils::inumeric(FLERR, words[1], false, lmp);
ndfft2 = utils::numeric(FLERR, words[2], false, lmp); ndfft2 = utils::inumeric(FLERR, words[2], false, lmp);
ndfft3 = utils::numeric(FLERR, words[3], false, lmp); ndfft3 = utils::inumeric(FLERR, words[3], false, lmp);
} }
dpmegrid_key = 1; dpmegrid_key = 1;
@ -635,7 +635,7 @@ void PairAmoeba::read_keyfile(char *filename)
// close key file // close key file
if (me == 0) fclose(fptr); if (me == 0) (void) fclose(fptr);
// cutoff resets for long-range interactions // cutoff resets for long-range interactions