diff --git a/src/USER-MISC/README b/src/USER-MISC/README index 4b2394f087638c809a1e9446f3e65fb9895a00f9..513973b4f56db591051be1f3ec1267e4d7140930 100644 --- a/src/USER-MISC/README +++ b/src/USER-MISC/README @@ -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 diff --git a/src/USER-MISC/compute_pressure_grem.cpp b/src/USER-MISC/compute_pressure_grem.cpp index 02b9e02459baeabb042dd45e560c2429f0536c88..984ac9894e43badf1fb174811135659878109288 100644 --- a/src/USER-MISC/compute_pressure_grem.cpp +++ b/src/USER-MISC/compute_pressure_grem.cpp @@ -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); diff --git a/src/USER-MISC/compute_pressure_grem.h b/src/USER-MISC/compute_pressure_grem.h index 115688e7ace13cb3dfa2f762ea6b7b6d4d304e0d..e6dc5e6839528a0e38884f492823465cfb9dde9c 100644 --- a/src/USER-MISC/compute_pressure_grem.h +++ b/src/USER-MISC/compute_pressure_grem.h @@ -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 */ diff --git a/src/USER-MISC/fix_grem.cpp b/src/USER-MISC/fix_grem.cpp index 55d176f41366f74ae9d2bffd5f74548de4de3b4e..fd646fa7ad648586721148bf098b04dd77c9ead3 100644 --- a/src/USER-MISC/fix_grem.cpp +++ b/src/USER-MISC/fix_grem.cpp @@ -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);