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2 changes: 1 addition & 1 deletion README.md
Original file line number Diff line number Diff line change
Expand Up @@ -145,7 +145,7 @@ available [here](https://github.com/emleddin/vim-cpptraj).

CPPTRAJ Authors
===============
**Lead Author:** Daniel R. Roe (<daniel.r.roe@gmail.com>)
**Lead Author:** Daniel R. Roe (<daniel.r.roe@gmail.com>, <daniel.roe@nih.gov>)
Laboratory of Computational Biology
National Heart Lung and Blood Institute
National Institutes of Health, Bethesda, MD.
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2 changes: 1 addition & 1 deletion src/Energy/PME_RecipParams.h
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Expand Up @@ -13,7 +13,7 @@ class PME_RecipParams {
public:
/// CONSTRUCTOR
PME_RecipParams();
/// Initilize recip options
/// Initalize recip options
int InitRecip(EwaldOptions const&, int);
/// Print recip options to stdout
void PrintRecipOpts() const;
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11 changes: 9 additions & 2 deletions src/ParameterTypes.h
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Expand Up @@ -730,13 +730,20 @@ class NonbondParmType {
/** Reserve space if not yet allocated, allows it to be used in conjunction
* with AddLJterm.
*/
NonbondType& SetLJ14(int ndx) {
NonbondType& SetLJ14(int ndx) {
if (ndx >= (int)lj14_.size())
lj14_.resize(ndx+1);
return lj14_[ndx];
}
/// Set specified LJC term
void SetLJC(int i, double ljc) { ccoef_[i] = ljc; }
/** Reserve space if not yet allocated, allows it to be used in conjunction
* with AddLJterm.
*/
void SetLJC(int ndx, double ljc) {
if ( ndx >= (int)ccoef_.size())
ccoef_.resize(ndx+1);
ccoef_[ndx] = ljc;
}
/// Set number of HB terms and init HB array TODO combine with SetNtypes?
void SetNHBterms(int n) { hbarray_.assign( n, HB_ParmType() ); }
/// Set specified HB term
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2 changes: 1 addition & 1 deletion src/Version.h
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Expand Up @@ -12,7 +12,7 @@
* Whenever a number that precedes <revision> is incremented, all subsequent
* numbers should be reset to 0.
*/
#define CPPTRAJ_INTERNAL_VERSION "V7.11.1"
#define CPPTRAJ_INTERNAL_VERSION "V7.11.2"
/// PYTRAJ relies on this
#define CPPTRAJ_VERSION_STRING CPPTRAJ_INTERNAL_VERSION
#endif
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