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RI-MP2 gradients
Started By : Mbanck
1 480 Jun 14th 10:27 am
Edoapra
NWChem functionality
CCSD gradients
Started By : Mbanck
7 741 May 29th 2:35 pm
Mbanck
NWChem functionality
Error: Function `GA_MPI_Comm_pgroup_default' implicitly converted to pointer at util_getppn.c:45
Started By : Mbanck
2 1097 Feb 15th 11:47 am
Edoapra
Compiling NWChem
CIS frequencies runs crash with "failed to read isroots"
Started By : Mbanck
3 2671 Feb 25th 5:46 pm
Edoapra
Running NWChem

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