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Merge branch 'v2.9'
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GiovanniBussi committed Mar 13, 2023
2 parents aac0faf + 18d5480 commit 4f91d4c
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Showing 2 changed files with 8 additions and 3 deletions.
6 changes: 3 additions & 3 deletions python/plumed.pyx
Original file line number Diff line number Diff line change
Expand Up @@ -186,7 +186,7 @@ cdef class Plumed:
for i in range(len(shape)):
ashape[i]=shape[i]
ashape[len(shape)]=0
self.cmd_low_level(ckey,&abuffer[0], 0, & ashape[0], sizeof(ashape[0]) + type_real + type_pointer)
self.cmd_low_level(ckey,&abuffer[0], 0, & ashape[0], sizeof(abuffer[0]) + type_real + type_pointer)
cdef cmd_ndarray_int(self, ckey, val):
cdef int [:] abuffer = val.ravel()
cdef size_t ashape[5]
Expand All @@ -195,7 +195,7 @@ cdef class Plumed:
for i in range(len(shape)):
ashape[i]=shape[i]
ashape[len(shape)]=0
self.cmd_low_level(ckey,&abuffer[0], 0, & ashape[0], sizeof(ashape[0]) + type_integral + type_pointer)
self.cmd_low_level(ckey,&abuffer[0], 0, & ashape[0], sizeof(abuffer[0]) + type_integral + type_pointer)
cdef cmd_ndarray_long(self, ckey, val):
cdef long [:] abuffer = val.ravel()
cdef size_t ashape[5]
Expand All @@ -204,7 +204,7 @@ cdef class Plumed:
for i in range(len(shape)):
ashape[i]=shape[i]
ashape[len(shape)]=0
self.cmd_low_level(ckey,&abuffer[0], 0, & ashape[0], sizeof(ashape[0]) + type_integral + type_pointer)
self.cmd_low_level(ckey,&abuffer[0], 0, & ashape[0], sizeof(abuffer[0]) + type_integral + type_pointer)
cdef cmd_array_double(self, ckey, val):
cdef double [:] abuffer = val
self.cmd_low_level(ckey,&abuffer[0], len(abuffer), NULL, sizeof(abuffer[0]) + type_real + type_pointer)
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5 changes: 5 additions & 0 deletions python/test/test_run.py
Original file line number Diff line number Diff line change
Expand Up @@ -98,6 +98,11 @@ def runtest(self):

# Create PLUMED object and read input
p = plumed.Plumed()

# not really needed, used to check https://github.com/plumed/plumed2/issues/916
plumed_version = np.zeros(1, dtype=np.intc)
p.cmd( "getApiVersion", plumed_version)

p.cmd("setMDEngine","python")
p.cmd("setTimestep", 1.)
p.cmd("setKbT", 1.)
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1 comment on commit 4f91d4c

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Found broken examples in automatic/a-masterclass-22-09.txt
Found broken examples in automatic/a-masterclass-22-11.txt
Found broken examples in automatic/a-masterclass-22-12.txt
Found broken examples in automatic/performance-optimization.txt
Found broken examples in automatic/a-trieste-6.txt
Found broken examples in automatic/munster.txt
Found broken examples in automatic/ANN.tmp
Found broken examples in automatic/EDS.tmp
Found broken examples in automatic/EMMI.tmp
Found broken examples in automatic/ENVIRONMENTSIMILARITY.tmp
Found broken examples in automatic/FOURIER_TRANSFORM.tmp
Found broken examples in automatic/FUNCPATHGENERAL.tmp
Found broken examples in automatic/FUNCPATHMSD.tmp
Found broken examples in automatic/FUNNEL.tmp
Found broken examples in automatic/FUNNEL_PS.tmp
Found broken examples in automatic/GHBFIX.tmp
Found broken examples in automatic/INCLUDE.tmp
Found broken examples in automatic/MAZE_MEMETIC_SAMPLING.tmp
Found broken examples in automatic/MAZE_OPTIMIZER_BIAS.tmp
Found broken examples in automatic/MAZE_RANDOM_ACCELERATION_MD.tmp
Found broken examples in automatic/MAZE_RANDOM_WALK.tmp
Found broken examples in automatic/MAZE_SIMULATED_ANNEALING.tmp
Found broken examples in automatic/MAZE_STEERED_MD.tmp
Found broken examples in automatic/PIV.tmp
Found broken examples in automatic/PLUMED.tmp
Found broken examples in MiscelaneousPP.md

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