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Martin Kurečka
Plumed AlphaFold
Commits
454162f9
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Commit
454162f9
authored
6 years ago
by
Omar Valsson
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updated Units.h
parent
5508368f
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src/tools/Units.h
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src/tools/Units.h
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src/tools/Units.h
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3
View file @
454162f9
...
@@ -59,15 +59,15 @@ public:
...
@@ -59,15 +59,15 @@ public:
Units
();
Units
();
/// Set energy units from string.
/// Set energy units from string.
/// Also understands the following strings:
/// Also understands the following strings:
/// kj/mol, kcal/mol, j/mol, and
eV
.
/// kj/mol, kcal/mol, j/mol,
eV,
and
Ha
.
void
setEnergy
(
const
std
::
string
&
);
void
setEnergy
(
const
std
::
string
&
);
/// Set time units from string.
/// Set time units from string.
/// Also understands the following strings:
/// Also understands the following strings:
/// ps, ns, fs.
/// ps, ns, fs
, and atomic
.
void
setTime
(
const
std
::
string
&
);
void
setTime
(
const
std
::
string
&
);
/// Set lengh units from string.
/// Set lengh units from string.
/// Also understands the following strings:
/// Also understands the following strings:
/// nm, A, um.
/// nm, A, um
, and Bohr
.
void
setLength
(
const
std
::
string
&
);
void
setLength
(
const
std
::
string
&
);
/// Set charge units from string.
/// Set charge units from string.
void
setCharge
(
const
std
::
string
&
);
void
setCharge
(
const
std
::
string
&
);
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