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rename compute pressure/grem to compute PRESSURE/GREM

This commit is contained in:
Axel Kohlmeyer 2016-11-22 15:25:59 -05:00
parent 647c6f00ce
commit df46b9aa38
4 changed files with 7 additions and 7 deletions
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2
src/USER-MISC/README
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@ -29,7 +29,7 @@ bond_style harmonic/shift/cut, Carsten Svaneborg, science at zqex.dk, 8 Aug 11
compute ackland/atom, Gerolf Ziegenhain, gerolf at ziegenhain.com, 4 Oct 2007
compute basal/atom, Christopher Barrett, cdb333 at cavs.msstate.edu, 3 Mar 2013
compute temp/rotate, Laurent Joly (U Lyon), ljoly.ulyon at gmail.com, 8 Aug 11
compute pressure/grem, David Stelter, dstelter@bu.edu, 22 Nov 16
compute PRESSURE/GREM, David Stelter, dstelter@bu.edu, 22 Nov 16
dihedral_style cosine/shift/exp, Carsten Svaneborg, science at zqex.dk, 8 Aug 11
dihedral_style fourier, Loukas Peristeras, loukas.peristeras at scienomics.com, 27 Oct 12
dihedral_style nharmonic, Loukas Peristeras, loukas.peristeras at scienomics.com, 27 Oct 12

2
src/USER-MISC/compute_pressure_grem.cpp
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@ -54,7 +54,7 @@ void ComputePressureGrem::init()
// Initialize hook to gREM fix
int ifix = modify->find_fix(fix_grem);
if (ifix < 0)
error->all(FLERR,"Fix grem ID for compute pressure/grem does not exist");
error->all(FLERR,"Fix grem ID for compute PRESSURE/GREM does not exist");
int dim;
scale_grem = (double *)modify->fix[ifix]->extract("scale_grem",dim);

8
src/USER-MISC/compute_pressure_grem.h
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@ -13,7 +13,7 @@
#ifdef COMPUTE_CLASS
ComputeStyle(pressure/grem,ComputePressureGrem)
ComputeStyle(PRESSURE/GREM,ComputePressureGrem)
#else
@ -80,12 +80,12 @@ E: Must use 'kspace_modify pressure/scalar no' for tensor components with kspace
Otherwise MSM will compute only a scalar pressure. See the kspace_modify
command for details on this setting.
E: Fix grem ID for compute pressure/grem does not exist
E: Fix grem ID for compute PRESSURE/GREM does not exist
Compute pressure/grem was passed an invalid fix id
Compute PRESSURE/GREM was passed an invalid fix id
E: Cannot extract gREM scale factor from fix grem
The fix id passed to compute pressure/grem refers to an incompatible fix
The fix id passed to compute PRESSURE/GREM refers to an incompatible fix
*/

2
src/USER-MISC/fix_grem.cpp
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@ -97,7 +97,7 @@ FixGrem::FixGrem(LAMMPS *lmp, int narg, char **arg) :
newarg = new char*[5];
newarg[0] = id_press;
newarg[1] = (char *) "all";
newarg[2] = (char *) "pressure/grem";
newarg[2] = (char *) "PRESSURE/GREM";
newarg[3] = id_temp;
newarg[4] = id;
modify->add_compute(5,newarg);