diff --git a/.github/workflows/PushWorkflow.yml b/.github/workflows/PushWorkflow.yml index 9ebc481a..e00ad71e 100644 --- a/.github/workflows/PushWorkflow.yml +++ b/.github/workflows/PushWorkflow.yml @@ -1,4 +1,4 @@ -name: CI DMFT_ED test workflow +name: CI EDIpack2 test workflow on: push @@ -7,7 +7,7 @@ defaults: shell: bash -l {0} jobs: - test-QcmP: + test-EDIpack2: runs-on: ${{ matrix.os }} strategy: fail-fast: false @@ -38,14 +38,14 @@ jobs: # Build EDIpack2 - name: Cloning EDIpack2 - run: git clone https://github.com/aamaricci/EDIpack2.0 EDIpack2 + run: git clone https://github.com/aamaricci/EDIpack2.0.git EDIpack2 - name: Install EDIpack2 run: | source ~/.scifor_config_user export PKG_CONFIG_PATH=~/.pkgconfig.d export GLOB_INC=$( pkg-config --cflags scifor ) export GLOB_LIB=$( pkg-config --libs scifor | sed "s/;/ /g" | sed 's/\\/ /g' ) - EDIpack2/bin/ci_setup_dmft_ed.sh + EDIpack2/bin/ci_setup_edipack2.sh @@ -55,10 +55,10 @@ jobs: - name: Building tests run: | source ~/.scifor_config_user - source ~/.dmft_ed_config_user + source ~/.edipack2_config_user export PKG_CONFIG_PATH=~/.pkgconfig.d - export GLOB_INC=$( pkg-config --cflags scifor dmft_ed) - export GLOB_LIB=$( pkg-config --libs scifor dmft_ed | sed "s/;/ /g" | sed 's/\\/ /g' ) + export GLOB_INC=$( pkg-config --cflags scifor edipack2) + export GLOB_LIB=$( pkg-config --libs scifor edipack2 | sed "s/;/ /g" | sed 's/\\/ /g' ) cd EDIpack2/test export TERM=xterm make all diff --git a/CMakeLists.txt b/CMakeLists.txt index d76fe602..3c51e49d 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -2,7 +2,7 @@ # DMFTED PROJECT ################################################## CMAKE_MINIMUM_REQUIRED(VERSION 3.0.0) -PROJECT(dmft_ed Fortran) +PROJECT(edipack2 Fortran) SET(VERSION 0.4.7) @@ -122,7 +122,7 @@ ADD_SUBDIRECTORY(${LIB_SRC}/ED_NONSU2) ADD_SUBDIRECTORY(${LIB_SRC}) -ADD_LIBRARY(dmft_ed STATIC +ADD_LIBRARY(edipack2 STATIC $ $ $ diff --git a/README.md b/README.md index 3c636f68..5515667a 100644 --- a/README.md +++ b/README.md @@ -1,12 +1,12 @@ # EDIpack2.0: Massively parallel Exact Diagonalization for generic Quantum Impurity problems -[![TestSuite](https://img.shields.io/github/actions/workflow/status/aamaricci/DMFT_ED/PushWorkflow.yml?label=TestSuite&logo=Fortran&style=flat-square)](https://github.com/aamaricci/DMFT_ED/actions/workflows/PushWorkflow.yml) +[![TestSuite](https://img.shields.io/github/actions/workflow/status/aamaricci/EDIpack2.0/PushWorkflow.yml?label=TestSuite&logo=Fortran&style=flat-square)](https://github.com/aamaricci/EDIpack2/actions/workflows/PushWorkflow.yml) -A suitable extension of ![EDIpack](https://github.com/aamaricci/EDIpack): a Lanczos based method +A suitable extension of [EDIpack](https://github.com/aamaricci/EDIpack): a Lanczos based method for the solution of generic Quantum Impurity problems, exploiting distributed memory MPI parallelisation. This updated version, aims to solve single-site, multi-orbital models, in either *normal*, *superconducting* (s-wave) or *Spin-non-conserving* (e.g. with Spin-Orbit Coupling or in-plane magnetization) phases, including electron-phonons coupling. The code works at zero and low temperatures. @@ -27,13 +27,13 @@ The code is based on: ### Installation Installation is available using CMake. In the current v0.0.1 API are only provided in Fortran. In a future release Python and C/C++ API will be included. -The software gives acces to the static library `libdmft_ed.a` and the related modules `DMFT_ED` +The software gives acces to the static library `libedipack2.a` and the related modules `EDIPACK2` Clone the repo: -`git clone https://github.com/aamaricci/EDIpack2.0` +`git clone https://github.com/aamaricci/EDIpack2.0 EDIpack2` -And from the repository directory (`cd EDIpack2.0`) make a standard out-of-source CMake compilation: +And from the repository directory (`cd EDIpack2`) make a standard out-of-source CMake compilation: `mkdir build` `cd build` @@ -45,14 +45,14 @@ And from the repository directory (`cd EDIpack2.0`) make a standard out-of-sourc Please follow the instructions on the screen to complete installation on your environment. The library can be loaded using one of the following, automatically generated, files : -* pkg-config file in `~/.pkg-config.d/dmft_ed.pc` -* environment module file `~/.modules.d/dmft_ed/` +* pkg-config file in `~/.pkg-config.d/EDIpack2.pc` +* environment module file `~/.modules.d/EDIpack2/` * homebrew `bash` script `/bin/configvars.sh` The `CMake` compilation can be controlled using the following additional variables, default values between `< >`: -* `-DPREFIX=prefix directory <~/opt/dmft_ed/VERSION/PLAT/[GIT_BRANCH]>` +* `-DPREFIX=prefix directory <~/opt/EDIpack2/VERSION/PLAT/[GIT_BRANCH]>` * `-DUSE_MPI=/no` diff --git a/bin/ci_setup_dmft_ed.sh b/bin/ci_setup_dmft_ed.sh deleted file mode 100755 index ea5c38e1..00000000 --- a/bin/ci_setup_dmft_ed.sh +++ /dev/null @@ -1,20 +0,0 @@ -#Building LIB_DMFT_ED -#Errors -set -e - -cd EDIpack2.0 -mkdir build -cd build - -echo "cmake .." -cmake .. - -echo "make" -make - -echo "make install" -make install - -echo "source ~/opt/dmft_ed/gnu/*/bin/dmft_ed_config_user.sh" >> ~/.dmft_ed_config_user -echo -e "\e[32m EDIpack2.0 installed and sourced \e[0m" - diff --git a/bin/ci_setup_edipack2.sh b/bin/ci_setup_edipack2.sh new file mode 100755 index 00000000..73dfa5f3 --- /dev/null +++ b/bin/ci_setup_edipack2.sh @@ -0,0 +1,20 @@ +#Building EDIpack2 +#Errors +set -e + +cd EDIpack2 +mkdir build +cd build + +echo "cmake .." +cmake .. + +echo "make" +make + +echo "make install" +make install + +echo "source ~/opt/EDIpack2/gnu/*/bin/edipack2_config_user.sh" >> ~/.edipack2_config_user +echo -e "\e[32m EDIpack2 installed and sourced \e[0m" + diff --git a/etc/dmft_ed.pc.in b/etc/edipack2.pc.in similarity index 80% rename from etc/dmft_ed.pc.in rename to etc/edipack2.pc.in index 86049bc7..6f355eb5 100644 --- a/etc/dmft_ed.pc.in +++ b/etc/edipack2.pc.in @@ -3,10 +3,10 @@ exec_prefix=${prefix}/bin includedir=${prefix}/include libdir=${prefix}/lib -Name: dmft_ed +Name: edipack2 Description: The EDIpack2.0 library Cflags: -I${includedir} -Libs: -L${libdir} -ldmft_ed +Libs: -L${libdir} -ledipack2 Version:@VERSION@ diff --git a/etc/dmft_ed_config_global.sh.in b/etc/edipack2_config_global.sh.in similarity index 100% rename from etc/dmft_ed_config_global.sh.in rename to etc/edipack2_config_global.sh.in diff --git a/etc/dmft_ed_config_user.sh.in b/etc/edipack2_config_user.sh.in similarity index 100% rename from etc/dmft_ed_config_user.sh.in rename to etc/edipack2_config_user.sh.in diff --git a/etc/environment_modules/module.in b/etc/environment_modules/module.in index 75a18ad1..87fa8537 100644 --- a/etc/environment_modules/module.in +++ b/etc/environment_modules/module.in @@ -14,7 +14,7 @@ proc ModulesHelp { } { module-whatis "EDIpack2.0 library in Fortran" -setenv DMFT_ED_ROOT $root +setenv EDIPACK2_ROOT $root setenv FC $compiler setenv F90 $compiler prepend-path LD_LIBRARY_PATH "$root/lib" diff --git a/src/CMakeLists.txt b/src/CMakeLists.txt index df44835a..8589661b 100644 --- a/src/CMakeLists.txt +++ b/src/CMakeLists.txt @@ -1,4 +1,4 @@ -# # DMFT_ED library +# EDIPACK2 library #Generate version module: CONFIGURE_FILE(${LIB_SRC}/revision.in ${LIB_SRC}/ED_VERSION.f90 @ONLY) @@ -24,6 +24,6 @@ FILE(GLOB ED_GLOB_SRC ED_CHI_FUNCTIONS.f90 ED_OBSERVABLES.f90 ED_MAIN.f90 - DMFT_ED.f90 + EDIPACK2.f90 ) ADD_LIBRARY(ED_GLOB_LIB OBJECT ${ED_GLOB_SRC}) diff --git a/src/DMFT_ED.f90 b/src/EDIPACK2.f90 similarity index 98% rename from src/DMFT_ED.f90 rename to src/EDIPACK2.f90 index 0212781f..e5dd07d8 100644 --- a/src/DMFT_ED.f90 +++ b/src/EDIPACK2.f90 @@ -1,4 +1,4 @@ -MODULE DMFT_ED +MODULE EDIPACK2 USE ED_INPUT_VARS , only: & ed_read_input , & ed_update_input,& @@ -76,7 +76,7 @@ MODULE DMFT_ED ed_get_eknot , & ed_get_doubles , & ed_get_density_matrix - + USE ED_MAIN, only: & ed_init_solver , & @@ -86,5 +86,5 @@ MODULE DMFT_ED USE ED_BATH_FIT, only: ed_chi2_fitgf -END MODULE DMFT_ED +END MODULE EDIPACK2 diff --git a/src/ED_AUX_FUNX.f90 b/src/ED_AUX_FUNX.f90 index 3315d7df..4fc4200f 100644 --- a/src/ED_AUX_FUNX.f90 +++ b/src/ED_AUX_FUNX.f90 @@ -3,7 +3,7 @@ MODULE ED_AUX_FUNX USE ED_VARS_GLOBAL USE SF_TIMER USE SF_LINALG, only: eye - USE SF_PAULI + USE SF_SPIN USE SF_MISC, only: assert_shape USE SF_IOTOOLS, only:free_unit,reg,txtfy USE SF_ARRAYS, only: arange,linspace diff --git a/src/ED_BATH/CMakeLists.txt b/src/ED_BATH/CMakeLists.txt index 2f8d6326..f4493c1f 100644 --- a/src/ED_BATH/CMakeLists.txt +++ b/src/ED_BATH/CMakeLists.txt @@ -1,4 +1,4 @@ -# DMFT_ED library +# EDIpack2 library FILE(GLOB ED_BATH_SRC ED_BATH_AUX.f90 ED_BATH_DIM.f90 diff --git a/src/ED_BATH/ED_BATH_FUNCTIONS.f90 b/src/ED_BATH/ED_BATH_FUNCTIONS.f90 index 8c7814b4..1234d4e0 100644 --- a/src/ED_BATH/ED_BATH_FUNCTIONS.f90 +++ b/src/ED_BATH/ED_BATH_FUNCTIONS.f90 @@ -2,7 +2,7 @@ MODULE ED_BATH_FUNCTIONS USE SF_CONSTANTS, only: zero USE SF_IOTOOLS, only:free_unit,reg,file_length,txtfy,str USE SF_LINALG, only: eye,inv,diag,zeye,inv_her,kron - USE SF_PAULI, only: pauli_sigma_z + USE SF_SPIN, only: pauli_sigma_z USE ED_INPUT_VARS USE ED_VARS_GLOBAL USE ED_AUX_FUNX diff --git a/src/ED_BATH/ED_FIT_GENERAL.f90 b/src/ED_BATH/ED_FIT_GENERAL.f90 index 1a8d76ee..e2c9605a 100644 --- a/src/ED_BATH/ED_FIT_GENERAL.f90 +++ b/src/ED_BATH/ED_FIT_GENERAL.f90 @@ -1,6 +1,6 @@ MODULE ED_FIT_GENERAL USE ED_FIT_COMMON - USE SF_PAULI, only: pauli_sigma_z + USE SF_SPIN, only: pauli_sigma_z USE SF_LINALG, only: kron, diag implicit none diff --git a/src/ED_BATH/ED_FIT_REPLICA.f90 b/src/ED_BATH/ED_FIT_REPLICA.f90 index be2d28b6..85a315ce 100644 --- a/src/ED_BATH/ED_FIT_REPLICA.f90 +++ b/src/ED_BATH/ED_FIT_REPLICA.f90 @@ -1,6 +1,6 @@ MODULE ED_FIT_REPLICA USE ED_FIT_COMMON - USE SF_PAULI, only: pauli_sigma_z + USE SF_SPIN, only: pauli_sigma_z USE SF_LINALG, only: kron implicit none diff --git a/src/ED_IO/CMakeLists.txt b/src/ED_IO/CMakeLists.txt index 63074ab5..782ec569 100644 --- a/src/ED_IO/CMakeLists.txt +++ b/src/ED_IO/CMakeLists.txt @@ -1,4 +1,4 @@ -# DMFT_ED library +# EDIpack2 library FILE(GLOB ED_IO_SRC ED_IO.f90 ) diff --git a/src/ED_IO/ED_IO.f90 b/src/ED_IO/ED_IO.f90 index e1fc22e7..b3fb6627 100644 --- a/src/ED_IO/ED_IO.f90 +++ b/src/ED_IO/ED_IO.f90 @@ -6,7 +6,7 @@ MODULE ED_IO USE ED_BATH ! USE SF_LINALG - USE SF_PAULI + USE SF_SPIN USE SF_ARRAYS, only: linspace,arange USE SF_IOTOOLS, only: str,reg,free_unit,splot,sread USE SF_MISC, only: assert_shape diff --git a/src/ED_NONSU2/CMakeLists.txt b/src/ED_NONSU2/CMakeLists.txt index 16b13d36..4d863b93 100644 --- a/src/ED_NONSU2/CMakeLists.txt +++ b/src/ED_NONSU2/CMakeLists.txt @@ -1,4 +1,4 @@ -# DMFT_ED library +# EDIpack2 library FILE(GLOB ED_NONSU2_LIB_SRC ED_HAMILTONIAN_NONSU2_COMMON.f90 ED_HAMILTONIAN_NONSU2_STORED_HxV.f90 diff --git a/src/ED_NORMAL/CMakeLists.txt b/src/ED_NORMAL/CMakeLists.txt index 1dc3119b..358e04da 100644 --- a/src/ED_NORMAL/CMakeLists.txt +++ b/src/ED_NORMAL/CMakeLists.txt @@ -1,4 +1,4 @@ -# DMFT_ED library +# EDIpack2 library FILE(GLOB ED_NORMAL_LIB_SRC ED_HAMILTONIAN_NORMAL_COMMON.f90 ED_HAMILTONIAN_NORMAL_STORED_HxV.f90 diff --git a/src/ED_SUPERC/CMakeLists.txt b/src/ED_SUPERC/CMakeLists.txt index 57aa3e2a..5edabcc8 100644 --- a/src/ED_SUPERC/CMakeLists.txt +++ b/src/ED_SUPERC/CMakeLists.txt @@ -1,4 +1,4 @@ -# DMFT_ED library +# EDIpack2 library FILE(GLOB ED_SUPERC_LIB_SRC ED_HAMILTONIAN_SUPERC_COMMON.f90 ED_HAMILTONIAN_SUPERC_STORED_HxV.f90 diff --git a/test/src/ED_GENERAL/ED_NORMAL/Makefile b/test/src/ED_GENERAL/ED_NORMAL/Makefile index 319980b1..a5eb8dfe 100755 --- a/test/src/ED_GENERAL/ED_NORMAL/Makefile +++ b/test/src/ED_GENERAL/ED_NORMAL/Makefile @@ -11,8 +11,8 @@ OBJS=../../ASSERTING.o #NO NEED TO CHANGE DOWN HERE, only expert mode. ######################################################################### -GLOB_INC:=$(shell pkg-config --cflags dmft_ed scifor) -GLOB_LIB:=$(shell pkg-config --libs dmft_ed scifor | sed "s/;/ /g" | sed 's/\\/ /g') +GLOB_INC:=$(shell pkg-config --cflags edipack2 scifor) +GLOB_LIB:=$(shell pkg-config --libs edipack2 scifor | sed "s/;/ /g" | sed 's/\\/ /g') ifeq ($(PLAT),intel) diff --git a/test/src/ED_GENERAL/ED_NORMAL/ed_general_normal.f90 b/test/src/ED_GENERAL/ED_NORMAL/ed_general_normal.f90 index ffc3a8de..598b9fa3 100644 --- a/test/src/ED_GENERAL/ED_NORMAL/ed_general_normal.f90 +++ b/test/src/ED_GENERAL/ED_NORMAL/ed_general_normal.f90 @@ -1,5 +1,5 @@ program ed_general_normal - USE DMFT_ED + USE EDIPACK2 USE SCIFOR USE MPI USE SF_MPI @@ -57,8 +57,8 @@ program ed_general_normal allocate(Smats(Nspin,Nspin,Norb,Norb,Lmats)) ! ! Matrices for general hamiltonian - gammaN =kron_pauli( pauli_sigma_0, pauli_tau_0) - gammaE0=kron_pauli( pauli_sigma_0, pauli_tau_x ) + gammaN =kron( pauli_sigma_0, pauli_tau_0) + gammaE0=kron( pauli_sigma_0, pauli_tau_x ) ! allocate(Hloc(Nspin,Nspin,Norb,Norb)) allocate(H0(Nso)) diff --git a/test/src/ED_GENERAL/ED_SUPERC/Makefile b/test/src/ED_GENERAL/ED_SUPERC/Makefile index 62207737..338636b8 100755 --- a/test/src/ED_GENERAL/ED_SUPERC/Makefile +++ b/test/src/ED_GENERAL/ED_SUPERC/Makefile @@ -11,8 +11,8 @@ OBJS=../../ASSERTING.o #NO NEED TO CHANGE DOWN HERE, only expert mode. ######################################################################### -GLOB_INC:=$(shell pkg-config --cflags dmft_ed scifor) -GLOB_LIB:=$(shell pkg-config --libs dmft_ed scifor | sed "s/;/ /g" | sed 's/\\/ /g') +GLOB_INC:=$(shell pkg-config --cflags edipack2 scifor) +GLOB_LIB:=$(shell pkg-config --libs edipack2 scifor | sed "s/;/ /g" | sed 's/\\/ /g') ifeq ($(PLAT),intel) diff --git a/test/src/ED_GENERAL/ED_SUPERC/ed_general_superc.f90 b/test/src/ED_GENERAL/ED_SUPERC/ed_general_superc.f90 index d4e20fb7..338ef997 100644 --- a/test/src/ED_GENERAL/ED_SUPERC/ed_general_superc.f90 +++ b/test/src/ED_GENERAL/ED_SUPERC/ed_general_superc.f90 @@ -1,5 +1,5 @@ program ed_general_superc - USE DMFT_ED + USE EDIPACK2 USE SCIFOR USE MPI USE SF_MPI @@ -60,9 +60,9 @@ program ed_general_superc allocate(Smats(2,Nspin,Nspin,Norb,Norb,Lmats)) ! ! Matrices for general hamiltonian in Nambu representation - gammaN =kron_pauli( pauli_sigma_z, pauli_tau_0) - gammaPhiAA=kron_pauli( pauli_sigma_x, pauli_tau_0 ) - gammaPhiAB=kron_pauli( pauli_sigma_x, pauli_tau_x ) + gammaN =kron( pauli_sigma_z, pauli_tau_0) + gammaPhiAA=kron( pauli_sigma_x, pauli_tau_0 ) + gammaPhiAB=kron( pauli_sigma_x, pauli_tau_x ) ! allocate(Hloc(Nspin,Nspin,Norb,Norb)) allocate(H0(Nso)) diff --git a/test/src/ED_GENERAL/Makefile b/test/src/ED_GENERAL/Makefile index 1230fdc9..1d94a200 100644 --- a/test/src/ED_GENERAL/Makefile +++ b/test/src/ED_GENERAL/Makefile @@ -6,7 +6,7 @@ FFLAGS= ${FFLAG} ${FPPMPI} .SUFFIXES: .f90 .PHONY: clean -GLOB_INC:=$(shell pkg-config --cflags scifor dmft_ed) +GLOB_INC:=$(shell pkg-config --cflags scifor edipack2) all: NORMAL SUPERC #NONSU2 diff --git a/test/src/ED_HYBRID/Makefile b/test/src/ED_HYBRID/Makefile index ed3eedd3..91c6dfb3 100644 --- a/test/src/ED_HYBRID/Makefile +++ b/test/src/ED_HYBRID/Makefile @@ -6,7 +6,7 @@ FFLAGS= ${FFLAG} ${FPPMPI} .SUFFIXES: .f90 .PHONY: clean -GLOB_INC:=$(shell pkg-config --cflags scifor dmft_ed) +GLOB_INC:=$(shell pkg-config --cflags scifor edipack2) all: diff --git a/test/src/ED_NORMAL/ED_NORMAL/Makefile b/test/src/ED_NORMAL/ED_NORMAL/Makefile index da25d2c3..336f6853 100755 --- a/test/src/ED_NORMAL/ED_NORMAL/Makefile +++ b/test/src/ED_NORMAL/ED_NORMAL/Makefile @@ -12,8 +12,8 @@ OBJS=../../ASSERTING.o #NO NEED TO CHANGE DOWN HERE, only expert mode. ######################################################################### -GLOB_INC:=$(shell pkg-config --cflags dmft_ed scifor) -GLOB_LIB:=$(shell pkg-config --libs dmft_ed scifor | sed "s/;/ /g" | sed 's/\\/ /g') +GLOB_INC:=$(shell pkg-config --cflags edipack2 scifor) +GLOB_LIB:=$(shell pkg-config --libs edipack2 scifor | sed "s/;/ /g" | sed 's/\\/ /g') ifeq ($(PLAT),intel) diff --git a/test/src/ED_NORMAL/ED_NORMAL/ed_normal_normal.f90 b/test/src/ED_NORMAL/ED_NORMAL/ed_normal_normal.f90 index bbb3db9b..946eddeb 100644 --- a/test/src/ED_NORMAL/ED_NORMAL/ed_normal_normal.f90 +++ b/test/src/ED_NORMAL/ED_NORMAL/ed_normal_normal.f90 @@ -1,5 +1,5 @@ program ed_normal_normal - USE DMFT_ED + USE EDIPACK2 USE SCIFOR USE MPI USE SF_MPI diff --git a/test/src/ED_NORMAL/ED_SUPERC/Makefile b/test/src/ED_NORMAL/ED_SUPERC/Makefile index 8ed4b8a8..12ace4e4 100755 --- a/test/src/ED_NORMAL/ED_SUPERC/Makefile +++ b/test/src/ED_NORMAL/ED_SUPERC/Makefile @@ -11,8 +11,8 @@ OBJS=../../ASSERTING.o #NO NEED TO CHANGE DOWN HERE, only expert mode. ######################################################################### -GLOB_INC:=$(shell pkg-config --cflags dmft_ed scifor) -GLOB_LIB:=$(shell pkg-config --libs dmft_ed scifor | sed "s/;/ /g" | sed 's/\\/ /g') +GLOB_INC:=$(shell pkg-config --cflags edipack2 scifor) +GLOB_LIB:=$(shell pkg-config --libs edipack2 scifor | sed "s/;/ /g" | sed 's/\\/ /g') ifeq ($(PLAT),intel) diff --git a/test/src/ED_NORMAL/ED_SUPERC/ed_normal_superc.f90 b/test/src/ED_NORMAL/ED_SUPERC/ed_normal_superc.f90 index abded1c1..6468cc20 100644 --- a/test/src/ED_NORMAL/ED_SUPERC/ed_normal_superc.f90 +++ b/test/src/ED_NORMAL/ED_SUPERC/ed_normal_superc.f90 @@ -1,5 +1,5 @@ program ed_normal_normal - USE DMFT_ED + USE EDIPACK2 USE SCIFOR USE MPI USE SF_MPI diff --git a/test/src/ED_NORMAL/Makefile b/test/src/ED_NORMAL/Makefile index 1230fdc9..1d94a200 100644 --- a/test/src/ED_NORMAL/Makefile +++ b/test/src/ED_NORMAL/Makefile @@ -6,7 +6,7 @@ FFLAGS= ${FFLAG} ${FPPMPI} .SUFFIXES: .f90 .PHONY: clean -GLOB_INC:=$(shell pkg-config --cflags scifor dmft_ed) +GLOB_INC:=$(shell pkg-config --cflags scifor edipack2) all: NORMAL SUPERC #NONSU2 diff --git a/test/src/ED_REPLICA/ED_NORMAL/Makefile b/test/src/ED_REPLICA/ED_NORMAL/Makefile index 25afb3fe..d3b2bd2c 100755 --- a/test/src/ED_REPLICA/ED_NORMAL/Makefile +++ b/test/src/ED_REPLICA/ED_NORMAL/Makefile @@ -11,8 +11,8 @@ OBJS=../../ASSERTING.o #NO NEED TO CHANGE DOWN HERE, only expert mode. ######################################################################### -GLOB_INC:=$(shell pkg-config --cflags dmft_ed scifor) -GLOB_LIB:=$(shell pkg-config --libs dmft_ed scifor | sed "s/;/ /g" | sed 's/\\/ /g') +GLOB_INC:=$(shell pkg-config --cflags edipack2 scifor) +GLOB_LIB:=$(shell pkg-config --libs edipack2 scifor | sed "s/;/ /g" | sed 's/\\/ /g') ifeq ($(PLAT),intel) diff --git a/test/src/ED_REPLICA/ED_NORMAL/ed_replica_normal.f90 b/test/src/ED_REPLICA/ED_NORMAL/ed_replica_normal.f90 index a0f2bc8c..056a4c7e 100644 --- a/test/src/ED_REPLICA/ED_NORMAL/ed_replica_normal.f90 +++ b/test/src/ED_REPLICA/ED_NORMAL/ed_replica_normal.f90 @@ -1,5 +1,5 @@ program ed_replica_normal - USE DMFT_ED + USE EDIPACK2 USE SCIFOR USE MPI USE SF_MPI @@ -57,8 +57,8 @@ program ed_replica_normal allocate(Smats(Nspin,Nspin,Norb,Norb,Lmats)) ! ! Matrices for replica hamiltonian - gammaN =kron_pauli( pauli_sigma_0, pauli_tau_0) - gammaE0=kron_pauli( pauli_sigma_0, pauli_tau_x ) + gammaN =kron( pauli_sigma_0, pauli_tau_0) + gammaE0=kron( pauli_sigma_0, pauli_tau_x ) ! allocate(Hloc(Nspin,Nspin,Norb,Norb)) allocate(H0(Nso)) diff --git a/test/src/ED_REPLICA/ED_SUPERC/Makefile b/test/src/ED_REPLICA/ED_SUPERC/Makefile index a5d9f217..e16b5545 100755 --- a/test/src/ED_REPLICA/ED_SUPERC/Makefile +++ b/test/src/ED_REPLICA/ED_SUPERC/Makefile @@ -11,8 +11,8 @@ OBJS=../../ASSERTING.o #NO NEED TO CHANGE DOWN HERE, only expert mode. ######################################################################### -GLOB_INC:=$(shell pkg-config --cflags dmft_ed scifor) -GLOB_LIB:=$(shell pkg-config --libs dmft_ed scifor | sed "s/;/ /g" | sed 's/\\/ /g') +GLOB_INC:=$(shell pkg-config --cflags edipack2 scifor) +GLOB_LIB:=$(shell pkg-config --libs edipack2 scifor | sed "s/;/ /g" | sed 's/\\/ /g') ifeq ($(PLAT),intel) diff --git a/test/src/ED_REPLICA/ED_SUPERC/ed_replica_superc.f90 b/test/src/ED_REPLICA/ED_SUPERC/ed_replica_superc.f90 index 11fae960..e7fdaace 100644 --- a/test/src/ED_REPLICA/ED_SUPERC/ed_replica_superc.f90 +++ b/test/src/ED_REPLICA/ED_SUPERC/ed_replica_superc.f90 @@ -1,5 +1,5 @@ program ed_replica_superc - USE DMFT_ED + USE EDIPACK2 USE SCIFOR USE MPI USE SF_MPI @@ -60,9 +60,9 @@ program ed_replica_superc allocate(Smats(2,Nspin,Nspin,Norb,Norb,Lmats)) ! ! Matrices for replica hamiltonian in Nambu representation - gammaN =kron_pauli( pauli_sigma_z, pauli_tau_0) - gammaPhiAA=kron_pauli( pauli_sigma_x, pauli_tau_0 ) - gammaPhiAB=kron_pauli( pauli_sigma_x, pauli_tau_x ) + gammaN =kron( pauli_sigma_z, pauli_tau_0) + gammaPhiAA=kron( pauli_sigma_x, pauli_tau_0 ) + gammaPhiAB=kron( pauli_sigma_x, pauli_tau_x ) ! allocate(Hloc(Nspin,Nspin,Norb,Norb)) allocate(H0(Nso)) diff --git a/test/src/ED_REPLICA/Makefile b/test/src/ED_REPLICA/Makefile index 00333d12..917550a7 100644 --- a/test/src/ED_REPLICA/Makefile +++ b/test/src/ED_REPLICA/Makefile @@ -6,7 +6,7 @@ FFLAGS= ${FFLAG} ${FPPMPI} .SUFFIXES: .f90 .PHONY: clean -GLOB_INC:=$(shell pkg-config --cflags scifor dmft_ed) +GLOB_INC:=$(shell pkg-config --cflags scifor edipack2) all: NORMAL SUPERC