Commit 3ab056e6 authored by Michele Ruggeri's avatar Michele Ruggeri

updated the test and source codes parts, fixed a typo

parent b1ddf513
Pipeline #5919 passed with stages
in 1 minute and 48 seconds
......@@ -65,7 +65,9 @@ To use the interface one must use the ``interfaceh5`` keyword in the ``determina
The tests for this code are part of the deterministic unit tests for QMCPack, that can be run with the command
``ctest -R deterministic``
``ctest -R interface``
Note that the code is tested using the GCC compiler and OpenMPI.
Source Code
___________
......
......@@ -49,7 +49,7 @@ and the documentation can be found at the QMCPack website `<https://qmcpack.org/
Building and testing
____________________
The ESBaseInterface module can be found in the QMCQEPack branch of the QMCPack git repository
The ESInterfaceBase module can be found in the QMCQEPack branch of the QMCPack git repository
`<https://github.com/michruggeri/qmcpack/tree/QMCQEPack>`_.
After cloning and getting to the QMCQEPack branch with
......@@ -63,7 +63,9 @@ in the ``manual`` subdirectory in the main QMCPack directory.
The tests for this code are part of the deterministic unit tests for QMCPack, that can be run with the command
``ctest -R deterministic``
``ctest -R interface``
Note that the code is tested using the GCC compiler and OpenMPI.
Source Code
___________
......
......@@ -76,7 +76,9 @@ To use the interface one must use the ``qmcqepack`` keyword in the ``determinant
The tests for this code are part of the deterministic unit tests for QMCPack, that can be run with the command
``ctest -R deterministic``
``ctest -R interface``
Note that the code is tested using the GCC compiler and OpenMPI.
Source Code
___________
......
......@@ -67,15 +67,15 @@ To use this library to perform DFT simulations QMCPack must be suitably compiled
The tests for this code are part of the deterministic unit tests for QMCPack, that can be run with the command
``ctest -R deterministic``
``ctest -R interface``
Note that the code is tested using the GCC compiler and OpenMPI.
Source Code
___________
The source code is available available from `<https://github.com/michruggeri/qmcpack/tree/QMCQEPack>`_ in the ``QMCQEPack`` branch. Specifically relevant files for this module include:
* ``external_codes/quantum_espresso/download_and_patch_qeinterface5.3.sh``
* ``external_codes/quantum_espresso/add_pw2qmcpack_to_intespresso-5.3.0.diff``
* ``external_codes/quantum_espresso/QMCQEPack_qepatch.diff``
* ``external_codes/quantum_espresso/QMCQEPack_download_and_patch_qe.sh``
......
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