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Tadah
MLIP
Commits
c4e4015d
Commit
c4e4015d
authored
11 months ago
by
Marcin Kirsz
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Adding range of structures
parent
b6cb06cf
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Pipeline
#37192
passed
11 months ago
Stage: build.debug
Stage: run.unit.tests
Stage: build_release
Stage: trigger
Pipeline: Tadah.MLIP
#37193
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structure_db.h
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c4e4015d
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@@ -62,7 +62,11 @@ struct StructureDB {
/** Add all structures from a file */
void
add
(
const
std
::
string
fn
);
/** Add N structures from a file begining from first. */
/** Add N structures from a file begining from first index.
*
* Indexing starts from zero, i.e.
* first=0 corresponds to the first structure in the file.
*/
void
add
(
const
std
::
string
fn
,
int
first
,
int
N
);
/** Add a single Structure object to this container */
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