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ValeevGroup
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mpqc
The Massively Parallel Quantum Chemistry program, MPQC, computes properties of atoms and molecules from first principles using the time independent Schrödinger equation.
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MPQC without new features fails to build
#10
calewis
closed
8 years ago
1
lib/chemistry/qc/etrain/etraintest fails
#9
evaleev
closed
10 years ago
0
lib/math/symmetry/pointgrouptest fails
#8
evaleev
closed
6 years ago
1
lib/chemistry/molecule/moltest fails
#7
evaleev
closed
10 years ago
0
messtest hangs
#6
evaleev
closed
6 years ago
1
no longer compiles without TA
#5
evaleev
closed
10 years ago
0
Chong's changes to [2]_S code
#4
pchong90
closed
10 years ago
1
--with-mpicc doesn't do intelligent things w.r.t. compiler detection
#3
jeffhammond
closed
8 years ago
11
mpqc: /home/andrey/mpqc/src/lib/util/ref/ref.h:417: sc::Ref<T>::operator T*() const [with T = sc::SCVector]: Assertion `p!=0' failed.
#2
asadchev
closed
11 years ago
3
MPI Comm collision
#1
asadchev
closed
11 years ago
9
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