forked from lijiext/lammps
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13280 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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@ -201,7 +201,7 @@ void AtomKokkos::sort()
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// if (current[i] != permute[i]) flag = 1;
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//int flagall;
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//MPI_Allreduce(&flag,&flagall,1,MPI_INT,MPI_SUM,world);
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//if (flagall) error->Xall(FLERR,"Atom sort did not operate correctly");
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//if (flagall) errorX->all(FLERR,"Atom sort did not operate correctly");
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}
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/* ----------------------------------------------------------------------
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@ -218,7 +218,6 @@ void AtomKokkos::grow(unsigned int mask){
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avec->grow_reset();
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sync(Host, mask);
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}
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}
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/* ---------------------------------------------------------------------- */
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@ -184,7 +184,7 @@ long-range Coulombic or dispersion components be used.
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E: Must use 'kspace_modify pressure/scalar no' to obtain per-atom virial with kspace_style MSM
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Self-explanatory.
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The kspace scalar pressure option cannot be used to obtain per-atom virial.
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E: KSpace accuracy must be > 0
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@ -229,13 +229,11 @@ invalid.
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E: Potential file has duplicate entry
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The potential file for a SW or Tersoff potential has more than
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one entry for the same 3 ordered elements.
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The potential file has more than one entry for the same element.
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E: Potential file is missing an entry
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The potential file for a SW or Tersoff potential does not have a
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needed entry.
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The potential file does not have a needed entry.
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W: Pair COMB charge %.10f with force %.10f hit min barrier
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@ -104,12 +104,10 @@ invalid.
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E: Potential file has duplicate entry
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The potential file for a SW or Tersoff potential has more than
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one entry for the same 3 ordered elements.
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The potential file has more than one entry for the same element.
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E: Potential file is missing an entry
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The potential file for a SW or Tersoff potential does not have a
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needed entry.
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The potential file does not have a needed entry.
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*/
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@ -111,12 +111,10 @@ invalid.
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E: Potential file has duplicate entry
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The potential file for a SW or Tersoff potential has more than
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one entry for the same 3 ordered elements.
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The potential file has more than one entry for the same element.
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E: Potential file is missing an entry
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The potential file for a SW or Tersoff potential does not have a
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needed entry.
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The potential file does not have a needed entry.
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*/
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@ -172,12 +172,10 @@ invalid.
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E: Potential file has duplicate entry
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The potential file for a SW or Tersoff potential has more than
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one entry for the same 3 ordered elements.
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The potential file has more than one entry for the same element.
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E: Potential file is missing an entry
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The potential file for a SW or Tersoff potential does not have a
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needed entry.
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The potential file does not have a needed entry.
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*/
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@ -96,12 +96,10 @@ invalid.
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E: Potential file has duplicate entry
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The potential file for a SW or Tersoff potential has more than
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one entry for the same 3 ordered elements.
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The potential file has more than one entry for the same element.
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E: Potential file is missing an entry
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The potential file for a SW or Tersoff potential does not have a
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needed entry.
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The potential file does not have a needed entry.
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*/
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@ -254,6 +254,6 @@ UNDOCUMENTED
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E: Too many total atoms
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UNDOCUMENTED
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See the setting for bigint in the src/lmptype.h file.
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*/
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@ -67,8 +67,8 @@ path and name are correct.
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E: Too much per-proc info for dump
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The size of the buffered string must fit in a 32-bit integer for a
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dump.
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Number of local atoms times number of columns must fit in a 32-bit
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integer for dump.
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E: Dump cfg requires one snapshot per file
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@ -72,8 +72,8 @@ Cannot invoke a function that has not been previously defined.
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E: Python variable does not match Python function
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Trying to invoke a function that returns a value, but no
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matching python-style variable has been specified.
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This matching is defined by the python-style variable and the python
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command.
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E: Cannot embed Python when also extending Python with LAMMPS
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@ -135,7 +135,7 @@ Self-explanatory.
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E: Fix rigid npt/nph does not yet allow triclinic box
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Self-explanatory.
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This is a current restriction in LAMMPS.
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E: Cannot use fix rigid npt/nph and fix deform on same component of stress tensor
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