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Misc patches and missed changes

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This commit is contained in:
jtclemm
2024-01-22 22:13:29 -07:00
parent 6dc676247f
commit 7c7f07e28d
4 changed files with 7 additions and 7 deletions
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2
doc/src/fix_deform.rst
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@ -597,4 +597,4 @@ Related commands
Default Default
""""""" """""""
The option defaults are remap = x, flip = yes, units = lattice The option defaults are remap = x, flip = yes, and units = lattice.

2
src/EXTRA-FIX/fix_deform_pressure.cpp
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@ -2,7 +2,7 @@
/* ---------------------------------------------------------------------- /* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
https://www.lammps.org/, Sandia National Laboratories https://www.lammps.org/, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov LAMMPS development team: developers@lammps.org
Copyright (2003) Sandia Corporation. Under the terms of Contract Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains

4
src/EXTRA-FIX/fix_deform_pressure.h
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@ -1,7 +1,7 @@
/* -*- c++ -*- ---------------------------------------------------------- /* -*- c++ -*- ----------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
https://www.lammps.org/, Sandia National Laboratories https://www.lammps.org/, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov LAMMPS development team: developers@lammps.org
Copyright (2003) Sandia Corporation. Under the terms of Contract Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
@ -35,7 +35,7 @@ class FixDeformPressure : public FixDeform {
protected: protected:
int pcouple, dimension; int pcouple, dimension;
double *h_rate, *h_ratelo, max_h_rate; double max_h_rate;
int strain_flag; // 1 if strain-based option is used, 0 if not int strain_flag; // 1 if strain-based option is used, 0 if not
int pressure_flag; // 1 if pressure tensor used, 0 if not int pressure_flag; // 1 if pressure tensor used, 0 if not
int volume_flag; // 1 if VOLUME option is used, 0 if not int volume_flag; // 1 if VOLUME option is used, 0 if not

6
src/fix_deform.cpp
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@ -13,7 +13,7 @@
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
/* ---------------------------------------------------------------------- /* ----------------------------------------------------------------------
Contributing author: Pieter in 't Veld (SNL), Joel Clemmer (SNL) Contributing author: Pieter in 't Veld (SNL)
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
#include "fix_deform.h" #include "fix_deform.h"
@ -759,7 +759,7 @@ void FixDeform::apply_deformation()
if (mask[i] & groupbit) if (mask[i] & groupbit)
domain->x2lamda(x[i], x[i]); domain->x2lamda(x[i], x[i]);
for (auto ifix : rfix) for (auto &ifix : rfix)
ifix->deform(0); ifix->deform(0);
} }
@ -798,7 +798,7 @@ void FixDeform::apply_deformation()
if (mask[i] & groupbit) if (mask[i] & groupbit)
domain->lamda2x(x[i], x[i]); domain->lamda2x(x[i], x[i]);
for (auto ifix : rfix) for (auto &ifix : rfix)
ifix->deform(1); ifix->deform(1);
} }
} }