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fix bugs in documentation and implementation of atom style mdpd

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This commit is contained in:
Axel Kohlmeyer
2018-02-09 15:19:01 +01:00
parent 2e99e54e23
commit 3528f9ca27
2 changed files with 4 additions and 4 deletions
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2
doc/src/read_data.txt
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@ -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

6
src/USER-MESO/atom_vec_mdpd.cpp
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@ -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++;