From 3528f9ca27b18d40297c3f69f3dd37cdda84c805 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Fri, 9 Feb 2018 15:19:01 +0100
Subject: [PATCH] fix bugs in documentation and implementation of atom style
mdpd
---
doc/src/read_data.txt | 2 +-
src/USER-MESO/atom_vec_mdpd.cpp | 6 +++---
2 files changed, 4 insertions(+), 4 deletions(-)
diff --git a/doc/src/read_data.txt b/doc/src/read_data.txt
index 8c9aa02e22..4ea60163b2 100644
--- a/doc/src/read_data.txt
+++ b/doc/src/read_data.txt
@@ -547,7 +547,7 @@ charge: atom-ID atom-type q x y z
dipole: atom-ID atom-type q x y z mux muy muz
dpd: atom-ID atom-type theta x y z
edpd: atom-ID atom-type edpd_temp edpd_cv x y z
-mdpd: atom-ID atom-type x y z
+mdpd: atom-ID atom-type rho x y z
tdpd: atom-ID atom-type x y z cc1 cc2 ... ccNspecies
electron: atom-ID atom-type q spin eradius x y z
ellipsoid: atom-ID atom-type ellipsoidflag density x y z
diff --git a/src/USER-MESO/atom_vec_mdpd.cpp b/src/USER-MESO/atom_vec_mdpd.cpp
index 0a4d302c36..0d2350a645 100644
--- a/src/USER-MESO/atom_vec_mdpd.cpp
+++ b/src/USER-MESO/atom_vec_mdpd.cpp
@@ -43,9 +43,9 @@ AtomVecMDPD::AtomVecMDPD(LAMMPS *lmp) : AtomVec(lmp)
size_reverse = 3 + 1; // 3 + drho
size_border = 6 + 4; // 6 + rho + vest[3]
size_velocity = 3;
- size_data_atom = 5;
+ size_data_atom = 6;
size_data_vel = 4;
- xcol_data = 3;
+ xcol_data = 4;
atom->rho_flag = 1;
atom->vest_flag = 1;
@@ -817,7 +817,7 @@ void AtomVecMDPD::data_atom(double *coord, imageint imagetmp, char **values) {
vest[nlocal][1] = 0.0;
vest[nlocal][2] = 0.0;
- rho[nlocal] = 0.0;
+ rho[nlocal] = atof(values[2]);
drho[nlocal] = 0.0;
atom->nlocal++;
--
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