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virtmat-tools
VRE Language
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!306
Draft: Resolve "Short circuiting and lazy evaluation"
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Draft: Resolve "Short circuiting and lazy evaluation"
49-short-circuiting-and-lazy-evaluation
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Ivan Kondov
requested to merge
49-short-circuiting-and-lazy-evaluation
into
master
3 months ago
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11f34884
wrap the calculate method in Vasp calculator to set pbc in atoms
· 11f34884
Ivan Kondov
authored
2 months ago
src/virtmat/language/utilities/ase_params.py
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@@ -19,7 +19,7 @@ from virtmat.language.utilities.lists import list_apply
spec
=
{
'
vasp
'
:
{
'
module
'
:
'
ase.calculator
s.
v
as
p
'
,
'
module
'
:
'
virtmat.language.utilitie
s.as
e_wrappers
'
,
'
class
'
:
'
Vasp
'
,
'
modulefile
'
:
{
'
name
'
:
'
vasp
'
,
'
verspec
'
:
'
>=5.0.0
'
},
'
envvars
'
:
{
'
VASP_COMMAND
'
:
'
vasp_std
'
},
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