Commit e83600ee authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

make naming of extract-able parameters consistent across similar pair styles (a/b/cparm -> a/b/c)

parent 5c09732d

doc/src/compute_fep.txt

+2 −2
Original line number Diff line number Diff line
@@ -135,14 +135,14 @@ the meaning of these parameters: 


"born"_pair_born.html: a,b,c: type pairs:

"buck"_pair_buck.html: a,c: type pairs:

"buck/mdf"_pair_mdf.html: aparm,cparm: type pairs:

"buck/mdf"_pair_mdf.html: a,c: type pairs:

"coul/cut"_pair_coul.html: scale: type pairs:

"coul/cut/soft"_pair_fep_soft.html: lambda: type pairs:

"coul/long, coul/msm"_pair_coul.html: scale: type pairs:

"coul/long/soft"_pair_fep_soft.html: scale, lambda: type pairs:

"eam"_pair_eam.html: scale: type pairs:

"gauss"_pair_gauss.html: a: type pairs:

"lennard/mdf"_pair_mdf.html: aparm,bparm: type pairs:

"lennard/mdf"_pair_mdf.html: a,b: type pairs:

"lj/class2"_pair_class2.html: epsilon,sigma: type pairs:

"lj/class2/coul/cut, lj/class2/coul/long"_pair_class2.html: epsilon,sigma: type pairs:

"lj/cut"_pair_lj.html: epsilon,sigma: type pairs:

doc/src/fix_adapt_fep.txt

+2 −2
Original line number Diff line number Diff line
@@ -114,14 +114,14 @@ styles and their energy formulas for the meaning of these parameters: 


"born"_pair_born.html: a,b,c: type pairs:

"buck"_pair_buck.html: a,c: type pairs:

"buck/mdf"_pair_mdf.html: aparm,cparm: type pairs:

"buck/mdf"_pair_mdf.html: a,c: type pairs:

"coul/cut"_pair_coul.html: scale: type pairs:

"coul/cut/soft"_pair_fep_soft.html: lambda: type pairs:

"coul/long, coul/msm"_pair_coul.html: scale: type pairs:

"coul/long/soft"_pair_fep_soft.html: scale, lambda: type pairs:

"eam"_pair_eam.html: scale: type pairs:

"gauss"_pair_gauss.html: a: type pairs:

"lennard/mdf"_pair_mdf.html: aparm,bparm: type pairs:

"lennard/mdf"_pair_mdf.html: a,b: type pairs:

"lj/class2"_pair_class2.html: epsilon,sigma: type pairs:

"lj/class2/coul/cut, lj/class2/coul/long"_pair_class2.html: epsilon,sigma: type pairs:

"lj/cut"_pair_lj.html: epsilon,sigma: type pairs:

src/USER-MISC/pair_buck_mdf.cpp

+2 −2
Original line number Diff line number Diff line
@@ -427,7 +427,7 @@ double PairBuckMDF::single(int /*i*/, int /*j*/, int itype, int jtype, 
void *PairBuckMDF::extract(const char *str, int &dim)

{

  dim = 2;

  if (strcmp(str,"aparm") == 0) return (void *) a;

  if (strcmp(str,"cparm") == 0) return (void *) c;

  if (strcmp(str,"a") == 0) return (void *) a;

  if (strcmp(str,"c") == 0) return (void *) c;

  return NULL;

}

src/USER-MISC/pair_lennard_mdf.cpp

+2 −2
Original line number Diff line number Diff line
@@ -389,7 +389,7 @@ double PairLJ_AB_MDF::single(int /*i*/, int /*j*/, int itype, int jtype, 
void *PairLJ_AB_MDF::extract(const char *str, int &dim)

{

  dim = 2;

  if (strcmp(str,"aparm") == 0) return (void *) aparm;

  if (strcmp(str,"bparm") == 0) return (void *) bparm;

  if (strcmp(str,"a") == 0) return (void *) aparm;

  if (strcmp(str,"b") == 0) return (void *) bparm;

  return NULL;

}

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