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Kernel #169

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Kernel #169

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383736e
Added kernel routines for XL-BOMD
Jan 11, 2021
7960bcf
O(N) pre-conditioned kernel matrix with implicit FD-expansion response
May 12, 2021
2ac9f50
Added kernel routine
Jul 16, 2021
02e93a6
Fixed test
Jul 16, 2021
1fe5601
Merge branch 'master' into kernel
linneamk Jul 17, 2021
ce0e474
Added kernel routines for XL-BOMD
Jan 11, 2021
bf9a368
O(N) pre-conditioned kernel matrix with implicit FD-expansion response
May 12, 2021
da4eb81
Added kernel routine
Jul 16, 2021
1256e74
Fixed test
Jul 16, 2021
f5eeefd
Rebased
Jul 17, 2021
6304e52
Fixed indentation
Jul 17, 2021
faee51d
changes
Sep 17, 2021
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4 changes: 4 additions & 0 deletions src/CMakeLists.txt
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Original file line number Diff line number Diff line change
Expand Up @@ -18,6 +18,7 @@ add_library(progress
prg_chebyshev_mod.F90
prg_densitymatrix_mod.F90
prg_dos_mod.F90
prg_ewald_mod.F90
prg_extras_mod.F90
prg_genz_mod.F90
prg_graph_mod.F90
Expand Down Expand Up @@ -46,6 +47,7 @@ add_library(progress
prg_subgraphloop_mod.F90
prg_system_mod.F90
prg_timer_mod.F90
prg_xlbokernel_mod.F90
prg_xlbo_mod.F90)
#prg_xlkernel_mod.F90)

Expand Down Expand Up @@ -94,6 +96,7 @@ install(FILES
${CMAKE_CURRENT_BINARY_DIR}/prg_chebyshev_mod.mod
${CMAKE_CURRENT_BINARY_DIR}/prg_densitymatrix_mod.mod
${CMAKE_CURRENT_BINARY_DIR}/prg_dos_mod.mod
${CMAKE_CURRENT_BINARY_DIR}/prg_ewald_mod.mod
${CMAKE_CURRENT_BINARY_DIR}/prg_extras_mod.mod
${CMAKE_CURRENT_BINARY_DIR}/prg_genz_mod.mod
${CMAKE_CURRENT_BINARY_DIR}/prg_graph_mod.mod
Expand Down Expand Up @@ -122,6 +125,7 @@ install(FILES
${CMAKE_CURRENT_BINARY_DIR}/prg_system_mod.mod
${CMAKE_CURRENT_BINARY_DIR}/prg_timer_mod.mod
${CMAKE_CURRENT_BINARY_DIR}/prg_xlbo_mod.mod
${CMAKE_CURRENT_BINARY_DIR}/prg_xlbokernel_mod.mod
# ${CMAKE_CURRENT_BINARY_DIR}/prg_xlkernel_mod.mod
${CMAKE_CURRENT_BINARY_DIR}/slaterkosterforce_latte_mod.mod
${CMAKE_CURRENT_BINARY_DIR}/tbparams_latte_mod.mod
Expand Down
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