From a8d7ca367de4e13a701fd54e7b8e990a3f6078be Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Sat, 10 Sep 2016 20:19:52 +0000
Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15564
f3b2605a-c512-4ea7-a41b-209d697bcdaa
---
src/MISC/fix_ttm.cpp | 6 ++++--
src/compute_angle_local.cpp | 2 +-
src/compute_bond_local.cpp | 2 +-
src/math_extra.h | 3 ++-
4 files changed, 8 insertions(+), 5 deletions(-)
diff --git a/src/MISC/fix_ttm.cpp b/src/MISC/fix_ttm.cpp
index f5157139ba..1461a0707d 100644
--- a/src/MISC/fix_ttm.cpp
+++ b/src/MISC/fix_ttm.cpp
@@ -87,7 +87,8 @@ FixTTM::FixTTM(LAMMPS *lmp, int narg, char **arg) :
// error check
- if (seed <= 0) error->all(FLERR,"Invalid random number seed in fix ttm command");
+ if (seed <= 0)
+ error->all(FLERR,"Invalid random number seed in fix ttm command");
if (electronic_specific_heat <= 0.0)
error->all(FLERR,"Fix ttm electronic_specific_heat must be > 0.0");
if (electronic_density <= 0.0)
@@ -342,7 +343,8 @@ void FixTTM::read_initial_electron_temperatures()
while (1) {
if (fgets(line,MAXLINE,fpr) == NULL) break;
sscanf(line,"%d %d %d %lg",&ixnode,&iynode,&iznode,&T_tmp);
- if (T_tmp < 0.0) error->one(FLERR,"Fix ttm electron temperatures must be > 0.0");
+ if (T_tmp < 0.0)
+ error->one(FLERR,"Fix ttm electron temperatures must be > 0.0");
T_electron[ixnode][iynode][iznode] = T_tmp;
T_initial_set[ixnode][iynode][iznode] = 1;
}
diff --git a/src/compute_angle_local.cpp b/src/compute_angle_local.cpp
index c9d4c00a67..c5478780ae 100644
--- a/src/compute_angle_local.cpp
+++ b/src/compute_angle_local.cpp
@@ -162,8 +162,8 @@ int ComputeAngleLocal::compute_angles(int flag)
atom3 = atom->map(angle_atom3[atom2][i]);
} else {
if (tag[atom2] != onemols[imol]->angle_atom2[atom2][i]) continue;
+ atype = onemols[imol]->angle_type[atom2][i];
tagprev = tag[atom2] - iatom - 1;
- atype = atom->map(onemols[imol]->angle_type[atom2][i]);
atom1 = atom->map(onemols[imol]->angle_atom1[atom2][i]+tagprev);
atom3 = atom->map(onemols[imol]->angle_atom3[atom2][i]+tagprev);
}
diff --git a/src/compute_bond_local.cpp b/src/compute_bond_local.cpp
index 6fb1b689b6..7008d81241 100644
--- a/src/compute_bond_local.cpp
+++ b/src/compute_bond_local.cpp
@@ -156,7 +156,7 @@ int ComputeBondLocal::compute_bonds(int flag)
atom2 = atom->map(bond_atom[atom1][i]);
} else {
tagprev = tag[atom1] - iatom - 1;
- btype = atom->map(onemols[imol]->bond_type[iatom][i]);
+ btype = onemols[imol]->bond_type[iatom][i];
atom2 = atom->map(onemols[imol]->bond_atom[iatom][i]+tagprev);
}
diff --git a/src/math_extra.h b/src/math_extra.h
index 3c00f7a4fc..75dd492845 100755
--- a/src/math_extra.h
+++ b/src/math_extra.h
@@ -228,7 +228,8 @@ inline void MathExtra::add3(const double *v1, const double *v2, double *ans)
ans = s*v1 + v2
------------------------------------------------------------------------- */
-inline void MathExtra::scaleadd3(double s, const double *v1, const double *v2, double *ans)
+inline void MathExtra::scaleadd3(double s, const double *v1,
+ const double *v2, double *ans)
{
ans[0] = s*v1[0] + v2[0];
ans[1] = s*v1[1] + v2[1];
--
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