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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2780 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2009-04-29 16:54:06 +00:00
parent 8515f83a1c
commit 16ef076c31
11 changed files with 627 additions and 54 deletions
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16
src/compute_temp_ramp.cpp
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@ -38,6 +38,13 @@ ComputeTempRamp::ComputeTempRamp(LAMMPS *lmp, int narg, char **arg) :
{
if (narg < 9) error->all("Illegal compute temp command");
scalar_flag = vector_flag = 1;
size_vector = 6;
extscalar = 0;
extvector = 1;
tempflag = 1;
tempbias = 1;
// parse optional args
scaleflag = 1;
@ -99,15 +106,6 @@ ComputeTempRamp::ComputeTempRamp(LAMMPS *lmp, int narg, char **arg) :
coord_hi = zscale*atof(arg[8]);
}
// settings
scalar_flag = vector_flag = 1;
size_vector = 6;
extscalar = 0;
extvector = 1;
tempflag = 1;
tempbias = 1;
maxbias = 0;
vbiasall = NULL;
vector = new double[6];