From cee7cd5fe9e7390caa7fee5bba62711f70f67459 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Sun, 7 Jun 2020 11:44:42 -0400 Subject: [PATCH] consolidate enumerator for per-atom array data types --- src/atom.cpp | 2 - src/atom.h | 1 + src/atom_vec.cpp | 146 +++++++++++++++++++++++------------------------ 3 files changed, 73 insertions(+), 76 deletions(-) diff --git a/src/atom.cpp b/src/atom.cpp index f47906f203..f6379213ea 100644 --- a/src/atom.cpp +++ b/src/atom.cpp @@ -48,8 +48,6 @@ using namespace MathConst; #define DELTA_PERATOM 64 #define EPSILON 1.0e-6 -enum{DOUBLE,INT,BIGINT}; - /* ---------------------------------------------------------------------- */ Atom::Atom(LAMMPS *lmp) : Pointers(lmp) diff --git a/src/atom.h b/src/atom.h index fca682aff6..e20ee0596d 100644 --- a/src/atom.h +++ b/src/atom.h @@ -24,6 +24,7 @@ class Atom : protected Pointers { public: char *atom_style; class AtomVec *avec; + enum{DOUBLE,INT,BIGINT}; // atom counts diff --git a/src/atom_vec.cpp b/src/atom_vec.cpp index b9a8d6b09d..29f2526751 100644 --- a/src/atom_vec.cpp +++ b/src/atom_vec.cpp @@ -33,8 +33,6 @@ using namespace MathConst; #define DELTA 16384 #define DELTA_BONUS 8192 -enum{DOUBLE,INT,BIGINT}; - /* ---------------------------------------------------------------------- */ AtomVec::AtomVec(LAMMPS *lmp) : Pointers(lmp) @@ -214,7 +212,7 @@ void AtomVec::grow(int n) datatype = mgrow.datatype[i]; cols = mgrow.cols[i]; const int nthreads = threads[i] ? comm->nthreads : 1; - if (datatype == DOUBLE) { + if (datatype == Atom::DOUBLE) { if (cols == 0) memory->grow(*((double **) pdata),nmax*nthreads,"atom:dvec"); else if (cols > 0) @@ -223,7 +221,7 @@ void AtomVec::grow(int n) maxcols = *(mgrow.maxcols[i]); memory->grow(*((double ***) pdata),nmax*nthreads,maxcols,"atom:darray"); } - } else if (datatype == INT) { + } else if (datatype == Atom::INT) { if (cols == 0) memory->grow(*((int **) pdata),nmax*nthreads,"atom:ivec"); else if (cols > 0) @@ -232,7 +230,7 @@ void AtomVec::grow(int n) maxcols = *(mgrow.maxcols[i]); memory->grow(*((int ***) pdata),nmax*nthreads,maxcols,"atom:iarray"); } - } else if (datatype == BIGINT) { + } else if (datatype == Atom::BIGINT) { if (cols == 0) memory->grow(*((bigint **) pdata),nmax*nthreads,"atom:bvec"); else if (cols > 0) @@ -275,7 +273,7 @@ void AtomVec::copy(int i, int j, int delflag) pdata = mcopy.pdata[n]; datatype = mcopy.datatype[n]; cols = mcopy.cols[n]; - if (datatype == DOUBLE) { + if (datatype == Atom::DOUBLE) { if (cols == 0) { double *vec = *((double **) pdata); vec[j] = vec[i]; @@ -292,7 +290,7 @@ void AtomVec::copy(int i, int j, int delflag) for (m = 0; m < ncols; m++) array[j][m] = array[i][m]; } - } else if (datatype == INT) { + } else if (datatype == Atom::INT) { if (cols == 0) { int *vec = *((int **) pdata); vec[j] = vec[i]; @@ -309,7 +307,7 @@ void AtomVec::copy(int i, int j, int delflag) for (m = 0; m < ncols; m++) array[j][m] = array[i][m]; } - } else if (datatype == BIGINT) { + } else if (datatype == Atom::BIGINT) { if (cols == 0) { bigint *vec = *((bigint **) pdata); vec[j] = vec[i]; @@ -377,7 +375,7 @@ int AtomVec::pack_comm(int n, int *list, double *buf, pdata = mcomm.pdata[nn]; datatype = mcomm.datatype[nn]; cols = mcomm.cols[nn]; - if (datatype == DOUBLE) { + if (datatype == Atom::DOUBLE) { if (cols == 0) { double *vec = *((double **) pdata); for (i = 0; i < n; i++) { @@ -392,7 +390,7 @@ int AtomVec::pack_comm(int n, int *list, double *buf, buf[m++] = array[j][mm]; } } - } else if (datatype == INT) { + } else if (datatype == Atom::INT) { if (cols == 0) { int *vec = *((int **) pdata); for (i = 0; i < n; i++) { @@ -407,7 +405,7 @@ int AtomVec::pack_comm(int n, int *list, double *buf, buf[m++] = ubuf(array[j][mm]).d; } } - } else if (datatype == BIGINT) { + } else if (datatype == Atom::BIGINT) { if (cols == 0) { bigint *vec = *((bigint **) pdata); for (i = 0; i < n; i++) { @@ -498,7 +496,7 @@ int AtomVec::pack_comm_vel(int n, int *list, double *buf, pdata = mcomm_vel.pdata[nn]; datatype = mcomm_vel.datatype[nn]; cols = mcomm_vel.cols[nn]; - if (datatype == DOUBLE) { + if (datatype == Atom::DOUBLE) { if (cols == 0) { double *vec = *((double **) pdata); for (i = 0; i < n; i++) { @@ -513,7 +511,7 @@ int AtomVec::pack_comm_vel(int n, int *list, double *buf, buf[m++] = array[j][mm]; } } - } else if (datatype == INT) { + } else if (datatype == Atom::INT) { if (cols == 0) { int *vec = *((int **) pdata); for (i = 0; i < n; i++) { @@ -528,7 +526,7 @@ int AtomVec::pack_comm_vel(int n, int *list, double *buf, buf[m++] = ubuf(array[j][mm]).d; } } - } else if (datatype == BIGINT) { + } else if (datatype == Atom::BIGINT) { if (cols == 0) { bigint *vec = *((bigint **) pdata); for (i = 0; i < n; i++) { @@ -572,7 +570,7 @@ void AtomVec::unpack_comm(int n, int first, double *buf) pdata = mcomm.pdata[nn]; datatype = mcomm.datatype[nn]; cols = mcomm.cols[nn]; - if (datatype == DOUBLE) { + if (datatype == Atom::DOUBLE) { if (cols == 0) { double *vec = *((double **) pdata); for (i = first; i < last; i++) @@ -583,7 +581,7 @@ void AtomVec::unpack_comm(int n, int first, double *buf) for (mm = 0; mm < cols; mm++) array[i][mm] = buf[m++]; } - } else if (datatype == INT) { + } else if (datatype == Atom::INT) { if (cols == 0) { int *vec = *((int **) pdata); for (i = first; i < last; i++) @@ -594,7 +592,7 @@ void AtomVec::unpack_comm(int n, int first, double *buf) for (mm = 0; mm < cols; mm++) array[i][mm] = (int) ubuf(buf[m++]).i; } - } else if (datatype == BIGINT) { + } else if (datatype == Atom::BIGINT) { if (cols == 0) { bigint *vec = *((bigint **) pdata); for (i = first; i < last; i++) @@ -635,7 +633,7 @@ void AtomVec::unpack_comm_vel(int n, int first, double *buf) pdata = mcomm_vel.pdata[nn]; datatype = mcomm_vel.datatype[nn]; cols = mcomm_vel.cols[nn]; - if (datatype == DOUBLE) { + if (datatype == Atom::DOUBLE) { if (cols == 0) { double *vec = *((double **) pdata); for (i = first; i < last; i++) @@ -646,7 +644,7 @@ void AtomVec::unpack_comm_vel(int n, int first, double *buf) for (mm = 0; mm < cols; mm++) array[i][mm] = buf[m++]; } - } else if (datatype == INT) { + } else if (datatype == Atom::INT) { if (cols == 0) { int *vec = *((int **) pdata); for (i = first; i < last; i++) @@ -657,7 +655,7 @@ void AtomVec::unpack_comm_vel(int n, int first, double *buf) for (mm = 0; mm < cols; mm++) array[i][mm] = (int) ubuf(buf[m++]).i; } - } else if (datatype == BIGINT) { + } else if (datatype == Atom::BIGINT) { if (cols == 0) { bigint *vec = *((bigint **) pdata); for (i = first; i < last; i++) @@ -695,7 +693,7 @@ int AtomVec::pack_reverse(int n, int first, double *buf) pdata = mreverse.pdata[nn]; datatype = mreverse.datatype[nn]; cols = mreverse.cols[nn]; - if (datatype == DOUBLE) { + if (datatype == Atom::DOUBLE) { if (cols == 0) { double *vec = *((double **) pdata); for (i = first; i < last; i++) { @@ -708,7 +706,7 @@ int AtomVec::pack_reverse(int n, int first, double *buf) buf[m++] = array[i][mm]; } } - } else if (datatype == INT) { + } else if (datatype == Atom::INT) { if (cols == 0) { int *vec = *((int **) pdata); for (i = first; i < last; i++) { @@ -721,7 +719,7 @@ int AtomVec::pack_reverse(int n, int first, double *buf) buf[m++] = ubuf(array[i][mm]).d; } } - } else if (datatype == BIGINT) { + } else if (datatype == Atom::BIGINT) { if (cols == 0) { bigint *vec = *((bigint **) pdata); for (i = first; i < last; i++) { @@ -761,7 +759,7 @@ void AtomVec::unpack_reverse(int n, int *list, double *buf) pdata = mreverse.pdata[nn]; datatype = mreverse.datatype[nn]; cols = mreverse.cols[nn]; - if (datatype == DOUBLE) { + if (datatype == Atom::DOUBLE) { if (cols == 0) { double *vec = *((double **) pdata); for (i = 0; i < n; i++) { @@ -776,7 +774,7 @@ void AtomVec::unpack_reverse(int n, int *list, double *buf) array[j][mm] += buf[m++]; } } - } else if (datatype == INT) { + } else if (datatype == Atom::INT) { if (cols == 0) { int *vec = *((int **) pdata); for (i = 0; i < n; i++) { @@ -791,7 +789,7 @@ void AtomVec::unpack_reverse(int n, int *list, double *buf) array[j][mm] += buf[m++]; } } - } else if (datatype == BIGINT) { + } else if (datatype == Atom::BIGINT) { if (cols == 0) { bigint *vec = *((bigint **) pdata); for (i = 0; i < n; i++) { @@ -856,7 +854,7 @@ int AtomVec::pack_border(int n, int *list, double *buf, int pbc_flag, int *pbc) pdata = mborder.pdata[nn]; datatype = mborder.datatype[nn]; cols = mborder.cols[nn]; - if (datatype == DOUBLE) { + if (datatype == Atom::DOUBLE) { if (cols == 0) { double *vec = *((double **) pdata); for (i = 0; i < n; i++) { @@ -871,7 +869,7 @@ int AtomVec::pack_border(int n, int *list, double *buf, int pbc_flag, int *pbc) buf[m++] = array[j][mm]; } } - } else if (datatype == INT) { + } else if (datatype == Atom::INT) { if (cols == 0) { int *vec = *((int **) pdata); for (i = 0; i < n; i++) { @@ -886,7 +884,7 @@ int AtomVec::pack_border(int n, int *list, double *buf, int pbc_flag, int *pbc) buf[m++] = ubuf(array[j][mm]).d; } } - } else if (datatype == BIGINT) { + } else if (datatype == Atom::BIGINT) { if (cols == 0) { bigint *vec = *((bigint **) pdata); for (i = 0; i < n; i++) { @@ -990,7 +988,7 @@ int AtomVec::pack_border_vel(int n, int *list, double *buf, pdata = mborder_vel.pdata[nn]; datatype = mborder_vel.datatype[nn]; cols = mborder_vel.cols[nn]; - if (datatype == DOUBLE) { + if (datatype == Atom::DOUBLE) { if (cols == 0) { double *vec = *((double **) pdata); for (i = 0; i < n; i++) { @@ -1005,7 +1003,7 @@ int AtomVec::pack_border_vel(int n, int *list, double *buf, buf[m++] = array[j][mm]; } } - } else if (datatype == INT) { + } else if (datatype == Atom::INT) { if (cols == 0) { int *vec = *((int **) pdata); for (i = 0; i < n; i++) { @@ -1020,7 +1018,7 @@ int AtomVec::pack_border_vel(int n, int *list, double *buf, buf[m++] = ubuf(array[j][mm]).d; } } - } else if (datatype == BIGINT) { + } else if (datatype == Atom::BIGINT) { if (cols == 0) { bigint *vec = *((bigint **) pdata); for (i = 0; i < n; i++) { @@ -1072,7 +1070,7 @@ void AtomVec::unpack_border(int n, int first, double *buf) pdata = mborder.pdata[nn]; datatype = mborder.datatype[nn]; cols = mborder.cols[nn]; - if (datatype == DOUBLE) { + if (datatype == Atom::DOUBLE) { if (cols == 0) { double *vec = *((double **) pdata); for (i = first; i < last; i++) @@ -1083,7 +1081,7 @@ void AtomVec::unpack_border(int n, int first, double *buf) for (mm = 0; mm < cols; mm++) array[i][mm] = buf[m++]; } - } else if (datatype == INT) { + } else if (datatype == Atom::INT) { if (cols == 0) { int *vec = *((int **) pdata); for (i = first; i < last; i++) @@ -1094,7 +1092,7 @@ void AtomVec::unpack_border(int n, int first, double *buf) for (mm = 0; mm < cols; mm++) array[i][mm] = (int) ubuf(buf[m++]).i; } - } else if (datatype == BIGINT) { + } else if (datatype == Atom::BIGINT) { if (cols == 0) { bigint *vec = *((bigint **) pdata); for (i = first; i < last; i++) @@ -1144,7 +1142,7 @@ void AtomVec::unpack_border_vel(int n, int first, double *buf) pdata = mborder_vel.pdata[nn]; datatype = mborder_vel.datatype[nn]; cols = mborder_vel.cols[nn]; - if (datatype == DOUBLE) { + if (datatype == Atom::DOUBLE) { if (cols == 0) { double *vec = *((double **) pdata); for (i = first; i < last; i++) @@ -1155,7 +1153,7 @@ void AtomVec::unpack_border_vel(int n, int first, double *buf) for (mm = 0; mm < cols; mm++) array[i][mm] = buf[m++]; } - } else if (datatype == INT) { + } else if (datatype == Atom::INT) { if (cols == 0) { int *vec = *((int **) pdata); for (i = first; i < last; i++) @@ -1166,7 +1164,7 @@ void AtomVec::unpack_border_vel(int n, int first, double *buf) for (mm = 0; mm < cols; mm++) array[i][mm] = (int) ubuf(buf[m++]).i; } - } else if (datatype == BIGINT) { + } else if (datatype == Atom::BIGINT) { if (cols == 0) { bigint *vec = *((bigint **) pdata); for (i = first; i < last; i++) @@ -1216,7 +1214,7 @@ int AtomVec::pack_exchange(int i, double *buf) pdata = mexchange.pdata[nn]; datatype = mexchange.datatype[nn]; cols = mexchange.cols[nn]; - if (datatype == DOUBLE) { + if (datatype == Atom::DOUBLE) { if (cols == 0) { double *vec = *((double **) pdata); buf[m++] = vec[i]; @@ -1233,7 +1231,7 @@ int AtomVec::pack_exchange(int i, double *buf) for (mm = 0; mm < ncols; mm++) buf[m++] = array[i][mm]; } - } if (datatype == INT) { + } if (datatype == Atom::INT) { if (cols == 0) { int *vec = *((int **) pdata); buf[m++] = ubuf(vec[i]).d; @@ -1250,7 +1248,7 @@ int AtomVec::pack_exchange(int i, double *buf) for (mm = 0; mm < ncols; mm++) buf[m++] = ubuf(array[i][mm]).d; } - } if (datatype == BIGINT) { + } if (datatype == Atom::BIGINT) { if (cols == 0) { bigint *vec = *((bigint **) pdata); buf[m++] = ubuf(vec[i]).d; @@ -1308,7 +1306,7 @@ int AtomVec::unpack_exchange(double *buf) pdata = mexchange.pdata[nn]; datatype = mexchange.datatype[nn]; cols = mexchange.cols[nn]; - if (datatype == DOUBLE) { + if (datatype == Atom::DOUBLE) { if (cols == 0) { double *vec = *((double **) pdata); vec[nlocal] = buf[m++]; @@ -1325,7 +1323,7 @@ int AtomVec::unpack_exchange(double *buf) for (mm = 0; mm < ncols; mm++) array[nlocal][mm] = buf[m++]; } - } else if (datatype == INT) { + } else if (datatype == Atom::INT) { if (cols == 0) { int *vec = *((int **) pdata); vec[nlocal] = ubuf(buf[m++]).i; @@ -1342,7 +1340,7 @@ int AtomVec::unpack_exchange(double *buf) for (mm = 0; mm < ncols; mm++) array[nlocal][mm] = (int) ubuf(buf[m++]).i; } - } else if (datatype == BIGINT) { + } else if (datatype == Atom::BIGINT) { if (cols == 0) { bigint *vec = *((bigint **) pdata); vec[nlocal] = (bigint) ubuf(buf[m++]).i; @@ -1450,7 +1448,7 @@ int AtomVec::pack_restart(int i, double *buf) pdata = mrestart.pdata[nn]; datatype = mrestart.datatype[nn]; cols = mrestart.cols[nn]; - if (datatype == DOUBLE) { + if (datatype == Atom::DOUBLE) { if (cols == 0) { double *vec = *((double **) pdata); buf[m++] = vec[i]; @@ -1467,7 +1465,7 @@ int AtomVec::pack_restart(int i, double *buf) for (mm = 0; mm < ncols; mm++) buf[m++] = array[i][mm]; } - } else if (datatype == INT) { + } else if (datatype == Atom::INT) { if (cols == 0) { int *vec = *((int **) pdata); buf[m++] = ubuf(vec[i]).d; @@ -1484,7 +1482,7 @@ int AtomVec::pack_restart(int i, double *buf) for (mm = 0; mm < ncols; mm++) buf[m++] = ubuf(array[i][mm]).d; } - } else if (datatype == BIGINT) { + } else if (datatype == Atom::BIGINT) { if (cols == 0) { bigint *vec = *((bigint **) pdata); buf[m++] = ubuf(vec[i]).d; @@ -1551,7 +1549,7 @@ int AtomVec::unpack_restart(double *buf) pdata = mrestart.pdata[nn]; datatype = mrestart.datatype[nn]; cols = mrestart.cols[nn]; - if (datatype == DOUBLE) { + if (datatype == Atom::DOUBLE) { if (cols == 0) { double *vec = *((double **) pdata); vec[nlocal] = buf[m++]; @@ -1568,7 +1566,7 @@ int AtomVec::unpack_restart(double *buf) for (mm = 0; mm < ncols; mm++) array[nlocal][mm] = buf[m++]; } - } else if (datatype == INT) { + } else if (datatype == Atom::INT) { if (cols == 0) { int *vec = *((int **) pdata); vec[nlocal] = ubuf(buf[m++]).i; @@ -1585,7 +1583,7 @@ int AtomVec::unpack_restart(double *buf) for (mm = 0; mm < ncols; mm++) array[nlocal][mm] = (int) ubuf(buf[m++]).i; } - } else if (datatype == BIGINT) { + } else if (datatype == Atom::BIGINT) { if (cols == 0) { bigint *vec = *((bigint **) pdata); vec[nlocal] = (bigint) ubuf(buf[m++]).i; @@ -1654,7 +1652,7 @@ void AtomVec::create_atom(int itype, double *coord) pdata = mcreate.pdata[n]; datatype = mcreate.datatype[n]; cols = mcreate.cols[n]; - if (datatype == DOUBLE) { + if (datatype == Atom::DOUBLE) { if (cols == 0) { double *vec = *((double **) pdata); vec[nlocal] = 0.0; @@ -1663,7 +1661,7 @@ void AtomVec::create_atom(int itype, double *coord) for (m = 0; m < cols; m++) array[nlocal][m] = 0.0; } - } else if (datatype == INT) { + } else if (datatype == Atom::INT) { if (cols == 0) { int *vec = *((int **) pdata); vec[nlocal] = 0; @@ -1672,7 +1670,7 @@ void AtomVec::create_atom(int itype, double *coord) for (m = 0; m < cols; m++) array[nlocal][m] = 0; } - } else if (datatype == BIGINT) { + } else if (datatype == Atom::BIGINT) { if (cols == 0) { bigint *vec = *((bigint **) pdata); vec[nlocal] = 0; @@ -1718,7 +1716,7 @@ void AtomVec::data_atom(double *coord, imageint imagetmp, char **values) pdata = mdata_atom.pdata[n]; datatype = mdata_atom.datatype[n]; cols = mdata_atom.cols[n]; - if (datatype == DOUBLE) { + if (datatype == Atom::DOUBLE) { if (cols == 0) { double *vec = *((double **) pdata); vec[nlocal] = utils::numeric(FLERR,values[ivalue++],true,lmp); @@ -1731,7 +1729,7 @@ void AtomVec::data_atom(double *coord, imageint imagetmp, char **values) for (m = 0; m < cols; m++) array[nlocal][m] = utils::numeric(FLERR,values[ivalue++],true,lmp); } - } else if (datatype == INT) { + } else if (datatype == Atom::INT) { if (cols == 0) { int *vec = *((int **) pdata); vec[nlocal] = utils::inumeric(FLERR,values[ivalue++],true,lmp); @@ -1740,7 +1738,7 @@ void AtomVec::data_atom(double *coord, imageint imagetmp, char **values) for (m = 0; m < cols; m++) array[nlocal][m] = utils::inumeric(FLERR,values[ivalue++],true,lmp); } - } else if (datatype == BIGINT) { + } else if (datatype == Atom::BIGINT) { if (cols == 0) { bigint *vec = *((bigint **) pdata); vec[nlocal] = utils::bnumeric(FLERR,values[ivalue++],true,lmp); @@ -1788,7 +1786,7 @@ void AtomVec::pack_data(double **buf) pdata = mdata_atom.pdata[n]; datatype = mdata_atom.datatype[n]; cols = mdata_atom.cols[n]; - if (datatype == DOUBLE) { + if (datatype == Atom::DOUBLE) { if (cols == 0) { double *vec = *((double **) pdata); buf[i][j++] = vec[i]; @@ -1797,7 +1795,7 @@ void AtomVec::pack_data(double **buf) for (m = 0; m < cols; m++) buf[i][j++] = array[i][m]; } - } else if (datatype == INT) { + } else if (datatype == Atom::INT) { if (cols == 0) { int *vec = *((int **) pdata); buf[i][j++] = ubuf(vec[i]).d; @@ -1806,7 +1804,7 @@ void AtomVec::pack_data(double **buf) for (m = 0; m < cols; m++) buf[i][j++] = ubuf(array[i][m]).d; } - } else if (datatype == BIGINT) { + } else if (datatype == Atom::BIGINT) { if (cols == 0) { bigint *vec = *((bigint **) pdata); buf[i][j++] = ubuf(vec[i]).d; @@ -1844,21 +1842,21 @@ void AtomVec::write_data(FILE *fp, int n, double **buf) for (nn = 1; nn < ndata_atom; nn++) { datatype = mdata_atom.datatype[nn]; cols = mdata_atom.cols[nn]; - if (datatype == DOUBLE) { + if (datatype == Atom::DOUBLE) { if (cols == 0) { fprintf(fp," %-1.16e",buf[i][j++]); } else { for (m = 0; m < cols; m++) fprintf(fp," %-1.16e",buf[i][j++]); } - } else if (datatype == INT) { + } else if (datatype == Atom::INT) { if (cols == 0) { fprintf(fp," %d",(int) ubuf(buf[i][j++]).i); } else { for (m = 0; m < cols; m++) fprintf(fp," %d",(int) ubuf(buf[i][j++]).i); } - } else if (datatype == BIGINT) { + } else if (datatype == Atom::BIGINT) { if (cols == 0) { fmt::print(fp," {}",(bigint) ubuf(buf[i][j++]).i); } else { @@ -1895,7 +1893,7 @@ void AtomVec::data_vel(int ilocal, char **values) pdata = mdata_vel.pdata[n]; datatype = mdata_vel.datatype[n]; cols = mdata_vel.cols[n]; - if (datatype == DOUBLE) { + if (datatype == Atom::DOUBLE) { if (cols == 0) { double *vec = *((double **) pdata); vec[ilocal] = utils::numeric(FLERR,values[ivalue++],true,lmp); @@ -1904,7 +1902,7 @@ void AtomVec::data_vel(int ilocal, char **values) for (m = 0; m < cols; m++) array[ilocal][m] = utils::numeric(FLERR,values[ivalue++],true,lmp); } - } else if (datatype == INT) { + } else if (datatype == Atom::INT) { if (cols == 0) { int *vec = *((int **) pdata); vec[ilocal] = utils::inumeric(FLERR,values[ivalue++],true,lmp); @@ -1913,7 +1911,7 @@ void AtomVec::data_vel(int ilocal, char **values) for (m = 0; m < cols; m++) array[ilocal][m] = utils::inumeric(FLERR,values[ivalue++],true,lmp); } - } else if (datatype == BIGINT) { + } else if (datatype == Atom::BIGINT) { if (cols == 0) { bigint *vec = *((bigint **) pdata); vec[ilocal] = utils::bnumeric(FLERR,values[ivalue++],true,lmp); @@ -1944,7 +1942,7 @@ void AtomVec::pack_vel(double **buf) pdata = mdata_vel.pdata[n]; datatype = mdata_vel.datatype[n]; cols = mdata_vel.cols[n]; - if (datatype == DOUBLE) { + if (datatype == Atom::DOUBLE) { if (cols == 0) { double *vec = *((double **) pdata); buf[i][j++] = vec[i]; @@ -1953,7 +1951,7 @@ void AtomVec::pack_vel(double **buf) for (m = 0; m < cols; m++) buf[i][j++] = array[i][m]; } - } else if (datatype == INT) { + } else if (datatype == Atom::INT) { if (cols == 0) { int *vec = *((int **) pdata); buf[i][j++] = ubuf(vec[i]).d; @@ -1962,7 +1960,7 @@ void AtomVec::pack_vel(double **buf) for (m = 0; m < cols; m++) buf[i][j++] = ubuf(array[i][m]).d; } - } else if (datatype == BIGINT) { + } else if (datatype == Atom::BIGINT) { if (cols == 0) { bigint *vec = *((bigint **) pdata); buf[i][j++] = ubuf(vec[i]).d; @@ -1992,21 +1990,21 @@ void AtomVec::write_vel(FILE *fp, int n, double **buf) for (nn = 1; nn < ndata_vel; nn++) { datatype = mdata_vel.datatype[nn]; cols = mdata_vel.cols[nn]; - if (datatype == DOUBLE) { + if (datatype == Atom::DOUBLE) { if (cols == 0) { fprintf(fp," %-1.16e",buf[i][j++]); } else { for (m = 0; m < cols; m++) fprintf(fp," %-1.16e",buf[i][j++]); } - } else if (datatype == INT) { + } else if (datatype == Atom::INT) { if (cols == 0) { fprintf(fp," %d",(int) ubuf(buf[i][j++]).i); } else { for (m = 0; m < cols; m++) fprintf(fp," %d",(int) ubuf(buf[i][j++]).i); } - } else if (datatype == BIGINT) { + } else if (datatype == Atom::BIGINT) { if (cols == 0) { fmt::print(fp," {}",(bigint) ubuf(buf[i][j++]).i); } else { @@ -2290,7 +2288,7 @@ bigint AtomVec::memory_usage() datatype = mgrow.datatype[i]; cols = mgrow.cols[i]; const int nthreads = threads[i] ? comm->nthreads : 1; - if (datatype == DOUBLE) { + if (datatype == Atom::DOUBLE) { if (cols == 0) { bytes += memory->usage(*((double **) pdata),nmax*nthreads); } else if (cols > 0) { @@ -2299,7 +2297,7 @@ bigint AtomVec::memory_usage() maxcols = *(mgrow.maxcols[i]); bytes += memory->usage(*((double ***) pdata),nmax*nthreads,maxcols); } - } else if (datatype == INT) { + } else if (datatype == Atom::INT) { if (cols == 0) { bytes += memory->usage(*((int **) pdata),nmax*nthreads); } else if (cols > 0) { @@ -2308,7 +2306,7 @@ bigint AtomVec::memory_usage() maxcols = *(mgrow.maxcols[i]); bytes += memory->usage(*((int ***) pdata),nmax*nthreads,maxcols); } - } else if (datatype == BIGINT) { + } else if (datatype == Atom::BIGINT) { if (cols == 0) { bytes += memory->usage(*((bigint **) pdata),nmax*nthreads); } else if (cols > 0) {