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Merge pull request #24 from fmgjcoppens/sherman-morrison-woodbury

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Integration of Sherman-Morrison-Woodbury kernels into QMCkl
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François Coppens 2021-09-10 17:36:46 +02:00 committed by GitHub
commit da635bb2dc
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3 changed files with 1025 additions and 0 deletions
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1020
org/qmckl_sherman_morrison_woodbury.org Normal file
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org/table_of_contents
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@ -7,6 +7,7 @@ qmckl_nucleus.org
qmckl_electron.org
qmckl_ao.org
qmckl_jastrow.org
qmckl_sherman_morrison_woodbury.org
qmckl_distance.org
qmckl_utils.org
qmckl_tests.org

4
tools/lib.org
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@ -42,6 +42,8 @@ f_of_c_d = { '' : ''
, 'qmckl_exit_code' : 'integer (c_int32_t)'
, 'int32_t' : 'integer (c_int32_t)'
, 'int64_t' : 'integer (c_int64_t)'
, 'uint32_t' : 'integer (c_int32_t)'
, 'uint64_t' : 'integer (c_int64_t)'
, 'float' : 'real (c_float )'
, 'double' : 'real (c_double )'
, 'char' : 'character'
@ -55,6 +57,8 @@ ctypeid_d = { '' : ''
, 'qmckl_exit_code' : 'integer(c_int32_t)'
, 'integer' : 'integer(c_int32_t)'
, 'integer*8' : 'integer(c_int64_t)'
, 'integer' : 'integer(c_uint32_t)'
, 'integer*8' : 'integer(c_uint64_t)'
, 'real' : 'real(c_float)'
, 'real*8' : 'real(c_double)'
, 'character' : 'character(c_char)'