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

This commit is contained in:
Axel Kohlmeyer 2019-01-24 10:54:17 -05:00
parent 5c09732dc3
commit e83600eee3
4 changed files with 8 additions and 8 deletions
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4
doc/src/compute_fep.txt
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@ -135,14 +135,14 @@ the meaning of these parameters:
"born"_pair_born.html: a,b,c: type pairs: "born"_pair_born.html: a,b,c: type pairs:
"buck"_pair_buck.html: a,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"_pair_coul.html: scale: type pairs:
"coul/cut/soft"_pair_fep_soft.html: lambda: type pairs: "coul/cut/soft"_pair_fep_soft.html: lambda: type pairs:
"coul/long, coul/msm"_pair_coul.html: scale: type pairs: "coul/long, coul/msm"_pair_coul.html: scale: type pairs:
"coul/long/soft"_pair_fep_soft.html: scale, lambda: type pairs: "coul/long/soft"_pair_fep_soft.html: scale, lambda: type pairs:
"eam"_pair_eam.html: scale: type pairs: "eam"_pair_eam.html: scale: type pairs:
"gauss"_pair_gauss.html: a: 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"_pair_class2.html: epsilon,sigma: type pairs:
"lj/class2/coul/cut, lj/class2/coul/long"_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: "lj/cut"_pair_lj.html: epsilon,sigma: type pairs:

4
doc/src/fix_adapt_fep.txt
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@ -114,14 +114,14 @@ styles and their energy formulas for the meaning of these parameters:
"born"_pair_born.html: a,b,c: type pairs: "born"_pair_born.html: a,b,c: type pairs:
"buck"_pair_buck.html: a,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"_pair_coul.html: scale: type pairs:
"coul/cut/soft"_pair_fep_soft.html: lambda: type pairs: "coul/cut/soft"_pair_fep_soft.html: lambda: type pairs:
"coul/long, coul/msm"_pair_coul.html: scale: type pairs: "coul/long, coul/msm"_pair_coul.html: scale: type pairs:
"coul/long/soft"_pair_fep_soft.html: scale, lambda: type pairs: "coul/long/soft"_pair_fep_soft.html: scale, lambda: type pairs:
"eam"_pair_eam.html: scale: type pairs: "eam"_pair_eam.html: scale: type pairs:
"gauss"_pair_gauss.html: a: 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"_pair_class2.html: epsilon,sigma: type pairs:
"lj/class2/coul/cut, lj/class2/coul/long"_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: "lj/cut"_pair_lj.html: epsilon,sigma: type pairs:

4
src/USER-MISC/pair_buck_mdf.cpp
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@ -427,7 +427,7 @@ double PairBuckMDF::single(int /*i*/, int /*j*/, int itype, int jtype,
void *PairBuckMDF::extract(const char *str, int &dim) void *PairBuckMDF::extract(const char *str, int &dim)
{ {
dim = 2; dim = 2;
if (strcmp(str,"aparm") == 0) return (void *) a; if (strcmp(str,"a") == 0) return (void *) a;
if (strcmp(str,"cparm") == 0) return (void *) c; if (strcmp(str,"c") == 0) return (void *) c;
return NULL; return NULL;
} }

4
src/USER-MISC/pair_lennard_mdf.cpp
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@ -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) void *PairLJ_AB_MDF::extract(const char *str, int &dim)
{ {
dim = 2; dim = 2;
if (strcmp(str,"aparm") == 0) return (void *) aparm; if (strcmp(str,"a") == 0) return (void *) aparm;
if (strcmp(str,"bparm") == 0) return (void *) bparm; if (strcmp(str,"b") == 0) return (void *) bparm;
return NULL; return NULL;
} }