science/dirac: New port: Program for atomic & molecular relativistic all-electron calculations
This commit is contained in:
Yuri Victorovich
@@ -68,6 +68,7 @@
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SUBDIR += devisor
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SUBDIR += dftbplus
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SUBDIR += dftd4
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SUBDIR += dirac
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SUBDIR += dkh
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SUBDIR += dlib-cpp
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SUBDIR += drawxtl
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41
science/dirac/Makefile
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41
science/dirac/Makefile
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@@ -0,0 +1,41 @@
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PORTNAME= dirac
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DISTVERSION= 22.0
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CATEGORIES= science # chemistry
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MASTER_SITES= https://zenodo.org/record/6010450/files/
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PKGNAMESUFFIX= -quantum-chemistry-software
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DISTNAME= ${PORTNAME:tu}-${DISTVERSION}-Source
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MAINTAINER= yuri@FreeBSD.org
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COMMENT= Program for atomic & molecular relativistic all-electron calculations
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LICENSE= LGPL21
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LICENSE_FILE= ${WRKSRC}/LICENSE
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BUILD_DEPENDS= gmake:devel/gmake
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LIB_DEPENDS= libblas.so:math/blas \
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libhdf5.so:science/hdf5 \
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liblapack.so:math/lapack
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USES= cmake:noninja,testing fortran python shebangfix
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#USE_GITLAB= yes
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#GL_COMMIT= 37b755410d9fdcd9b5e7bba6e43ceb7d5c7b9dae
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SHEBANG_FILES= pam.in \
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utils/process_schema.py \
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utils/dirac_data.py
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CMAKE_OFF= ENABLE_EXATENSOR \
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ENABLE_PCMSOLVER # PCMSolver integration is broken, see https://gitlab.com/dirac/dirac/-/issues/33 and https://gitlab.com/dirac/dirac/-/issues/34
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CMAKE_ARGS= -DMKL_FLAG=off
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CFLAGS+= -DSYS_LINUX # see https://gitlab.com/dirac/dirac/-/issues/32
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CXXFLAGS+= -DSYS_LINUX
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FFLAGS+= -DSYS_LINUX
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LDFLAGS+= -llapack -lblas
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BINARY_ALIAS= make=${GMAKE} \
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python=${PYTHON_CMD} \
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python3=${PYTHON_CMD}
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.include <bsd.port.mk>
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3
science/dirac/distinfo
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3
science/dirac/distinfo
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@@ -0,0 +1,3 @@
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TIMESTAMP = 1660200127
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SHA256 (DIRAC-22.0-Source.tar.gz) = c8c011b5bc2ca36a2ef76b2deb911638321655fcae1d1b146cacfa1b5f783711
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SIZE (DIRAC-22.0-Source.tar.gz) = 98408177
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11
science/dirac/files/patch-cmake_custom_core.cmake
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11
science/dirac/files/patch-cmake_custom_core.cmake
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@@ -0,0 +1,11 @@
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--- cmake/custom/core.cmake.orig 2022-08-10 16:56:44 UTC
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+++ cmake/custom/core.cmake
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@@ -101,7 +101,7 @@ foreach(
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if(${CMAKE_SYSTEM_NAME} STREQUAL "AIX")
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SET_TARGET_PROPERTIES(${_executable} PROPERTIES LINK_FLAGS "-Wl,-bbigtoc")
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endif()
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- if(${CMAKE_SYSTEM_NAME} STREQUAL "Linux")
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+ if(${CMAKE_SYSTEM_NAME} STREQUAL "Linux" OR ${CMAKE_SYSTEM_NAME} STREQUAL "FreeBSD")
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SET_TARGET_PROPERTIES(${_executable} PROPERTIES LINK_FLAGS "-Wl,-E")
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endif()
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8
science/dirac/files/patch-src_gp_execinfo__bsd.h
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8
science/dirac/files/patch-src_gp_execinfo__bsd.h
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@@ -0,0 +1,8 @@
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--- src/gp/execinfo_bsd.h.orig 2022-08-10 06:56:53 UTC
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+++ src/gp/execinfo_bsd.h
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@@ -46,3 +46,5 @@ void backtrace_symbols_fd(void *const *, int, int);
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#ifdef __cplusplus
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}
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#endif
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+
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+#endif
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11
science/dirac/files/patch-src_gp_memory__sys__if.c
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11
science/dirac/files/patch-src_gp_memory__sys__if.c
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@@ -0,0 +1,11 @@
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--- src/gp/memory_sys_if.c.orig 2022-08-10 06:55:50 UTC
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+++ src/gp/memory_sys_if.c
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@@ -37,6 +37,8 @@
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#include <errno.h>
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#include <string.h>
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+#include <sys/types.h>
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+
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#include "trace.h"
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#define FORTRAN_STRx_TO_INT8(a) (int64_t)strtol(a,NULL,16)
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8
science/dirac/files/patch-src_gp_stacktraverse__bsd.h
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8
science/dirac/files/patch-src_gp_stacktraverse__bsd.h
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@@ -0,0 +1,8 @@
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--- src/gp/stacktraverse_bsd.h.orig 2022-08-10 06:57:14 UTC
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+++ src/gp/stacktraverse_bsd.h
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@@ -36,3 +36,5 @@
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void *getreturnaddr(int);
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void *getframeaddr(int);
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+
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+#endif
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5
science/dirac/pkg-descr
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5
science/dirac/pkg-descr
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@@ -0,0 +1,5 @@
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The DIRAC program computes molecular properties using relativistic quantum
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chemical methods. It is named after P.A.M. Dirac, the father of relativistic
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electronic structure theory.
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WWW: http://diracprogram.org/doku.php
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746
science/dirac/pkg-plist
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746
science/dirac/pkg-plist
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@@ -0,0 +1,746 @@
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bin/pam-dirac
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%%DATADIR%%/DIRACschema.txt
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%%DATADIR%%/GIT_HASH
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%%DATADIR%%/VERSION
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/As.acvdz.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/As.acvdz.nr.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/As.arvdz.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/As.arvdz.nr.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/As.avdz.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/As.avdz.nr.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/As.cvdz.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/As.cvdz.nr.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/As.rvdz.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/As.rvdz.nr.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/As.vdz.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/As.vdz.nr.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/At.acvdz.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/At.acvdz.nr.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/At.arvdz.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/At.arvdz.nr.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/At.avdz.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/At.avdz.nr.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/At.cvdz.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/At.cvdz.nr.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/At.rvdz.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/At.rvdz.nr.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/At.vdz.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/At.vdz.nr.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Bi.acvdz.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Bi.acvdz.nr.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Bi.arvdz.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Bi.arvdz.nr.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Bi.avdz.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Bi.avdz.nr.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Bi.cvdz.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Bi.cvdz.nr.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Bi.rvdz.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Bi.rvdz.nr.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Bi.vdz.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Bi.vdz.nr.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Br.accpvdz.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Br.acvdz.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Br.acvdz.nr.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Br.arvdz.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Br.arvdz.nr.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Br.avdz.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Br.avdz.nr.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Br.ccpvdz.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Br.cvdz.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Br.cvdz.nr.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Br.rvdz.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Br.rvdz.nr.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Br.vdz.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Br.vdz.nr.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Ga.acvdz.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Ga.acvdz.nr.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Ga.arvdz.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Ga.arvdz.nr.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Ga.avdz.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Ga.avdz.nr.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Ga.cvdz.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Ga.cvdz.nr.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Ga.cvtz.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Ga.vdz.nr.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Ge.acvdz.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Ge.avdz.nr.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Ge.cvdz.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Ge.cvdz.nr.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Ge.rvdz.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Ge.vdz.nr.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/I.acvdz.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/I.arvdz.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/In.vdz.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/In.vdz.nr.bas
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%%DATADIR%%/basis/MOLFDIR/Dyall.basis/Pb.acvdz.bas
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||||
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||||
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||||
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||||
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||||
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||||
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||||
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||||
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||||
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||||
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||||
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||||
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||||
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|
||||
%%DATADIR%%/basis_dalton/6-311G-star-star
|
||||
%%DATADIR%%/basis_dalton/6-31G
|
||||
%%DATADIR%%/basis_dalton/6-31G(3df,3pd)
|
||||
%%DATADIR%%/basis_dalton/6-31G-star
|
||||
%%DATADIR%%/basis_dalton/6-31G-star-star
|
||||
%%DATADIR%%/basis_dalton/ANO-DK3
|
||||
%%DATADIR%%/basis_dalton/ANO-RCC
|
||||
%%DATADIR%%/basis_dalton/Ahlrichs-Coulomb-Fit
|
||||
%%DATADIR%%/basis_dalton/Ahlrichs-TZV
|
||||
%%DATADIR%%/basis_dalton/Ahlrichs-VDZ
|
||||
%%DATADIR%%/basis_dalton/Ahlrichs-VTZ
|
||||
%%DATADIR%%/basis_dalton/Ahlrichs-pVDZ
|
||||
%%DATADIR%%/basis_dalton/Almlof-Taylor-ANO
|
||||
%%DATADIR%%/basis_dalton/DZ(Dunning)
|
||||
%%DATADIR%%/basis_dalton/DZ+Rydberg(Dunning)
|
||||
%%DATADIR%%/basis_dalton/DZP(Dunning)
|
||||
%%DATADIR%%/basis_dalton/DZP+Diffuse(Dunning)
|
||||
%%DATADIR%%/basis_dalton/DZP+Rydberg(Dunning)
|
||||
%%DATADIR%%/basis_dalton/GAMESS-PVTZ
|
||||
%%DATADIR%%/basis_dalton/GAMESS-VTZ
|
||||
%%DATADIR%%/basis_dalton/Huckel
|
||||
%%DATADIR%%/basis_dalton/Huz-II
|
||||
%%DATADIR%%/basis_dalton/Huz-III
|
||||
%%DATADIR%%/basis_dalton/Huz-IIIsu3
|
||||
%%DATADIR%%/basis_dalton/Huz-IIsu2
|
||||
%%DATADIR%%/basis_dalton/Huz-IV
|
||||
%%DATADIR%%/basis_dalton/Huz-IVsu4
|
||||
%%DATADIR%%/basis_dalton/MINI(Huzinaga)
|
||||
%%DATADIR%%/basis_dalton/MINI(Scaled)
|
||||
%%DATADIR%%/basis_dalton/McLean-Chandler-VTZ
|
||||
%%DATADIR%%/basis_dalton/NASA-Ames-ANO
|
||||
%%DATADIR%%/basis_dalton/NQvD
|
||||
%%DATADIR%%/basis_dalton/SARC-DKH
|
||||
%%DATADIR%%/basis_dalton/STO-2G
|
||||
%%DATADIR%%/basis_dalton/STO-3G
|
||||
%%DATADIR%%/basis_dalton/STO-6G
|
||||
%%DATADIR%%/basis_dalton/SV(Dunning-Hay)
|
||||
%%DATADIR%%/basis_dalton/SV+DoubleRydberg(Dunning-Hay)
|
||||
%%DATADIR%%/basis_dalton/SV+Rydberg(Dunning-Hay)
|
||||
%%DATADIR%%/basis_dalton/SVP(Dunning-Hay)
|
||||
%%DATADIR%%/basis_dalton/SVP+Diffuse(Dunning-Hay)
|
||||
%%DATADIR%%/basis_dalton/Sadlej-pVTZ
|
||||
%%DATADIR%%/basis_dalton/Sadlej-pVTZ-J
|
||||
%%DATADIR%%/basis_dalton/TZ(Dunning)
|
||||
%%DATADIR%%/basis_dalton/TZVPP-MP2-fit
|
||||
%%DATADIR%%/basis_dalton/Turbomole-DZ
|
||||
%%DATADIR%%/basis_dalton/Turbomole-DZP
|
||||
%%DATADIR%%/basis_dalton/Turbomole-Jfit-Xe
|
||||
%%DATADIR%%/basis_dalton/Turbomole-QZV
|
||||
%%DATADIR%%/basis_dalton/Turbomole-QZVP
|
||||
%%DATADIR%%/basis_dalton/Turbomole-QZVPP
|
||||
%%DATADIR%%/basis_dalton/Turbomole-SV
|
||||
%%DATADIR%%/basis_dalton/Turbomole-SVP
|
||||
%%DATADIR%%/basis_dalton/Turbomole-TZ
|
||||
%%DATADIR%%/basis_dalton/Turbomole-TZP
|
||||
%%DATADIR%%/basis_dalton/Turbomole-TZV
|
||||
%%DATADIR%%/basis_dalton/Turbomole-TZV2P
|
||||
%%DATADIR%%/basis_dalton/Turbomole-TZVP
|
||||
%%DATADIR%%/basis_dalton/Turbomole-TZVPP
|
||||
%%DATADIR%%/basis_dalton/Turbomole-TZVPPP
|
||||
%%DATADIR%%/basis_dalton/Wachtersa+f
|
||||
%%DATADIR%%/basis_dalton/ano-1
|
||||
%%DATADIR%%/basis_dalton/ano-2
|
||||
%%DATADIR%%/basis_dalton/ano-3
|
||||
%%DATADIR%%/basis_dalton/ano-4
|
||||
%%DATADIR%%/basis_dalton/apc-0
|
||||
%%DATADIR%%/basis_dalton/apc-1
|
||||
%%DATADIR%%/basis_dalton/apc-2
|
||||
%%DATADIR%%/basis_dalton/apc-3
|
||||
%%DATADIR%%/basis_dalton/apc-4
|
||||
%%DATADIR%%/basis_dalton/aug-cc-pCV5Z
|
||||
%%DATADIR%%/basis_dalton/aug-cc-pCVDZ
|
||||
%%DATADIR%%/basis_dalton/aug-cc-pCVQZ
|
||||
%%DATADIR%%/basis_dalton/aug-cc-pCVTZ
|
||||
%%DATADIR%%/basis_dalton/aug-cc-pCVTZ-CTOCD-uc
|
||||
%%DATADIR%%/basis_dalton/aug-cc-pV(5+d)Z
|
||||
%%DATADIR%%/basis_dalton/aug-cc-pV(6+d)Z
|
||||
%%DATADIR%%/basis_dalton/aug-cc-pV(D+d)Z
|
||||
%%DATADIR%%/basis_dalton/aug-cc-pV(Q+d)Z
|
||||
%%DATADIR%%/basis_dalton/aug-cc-pV(T+d)Z
|
||||
%%DATADIR%%/basis_dalton/aug-cc-pV5Z
|
||||
%%DATADIR%%/basis_dalton/aug-cc-pV5Z-DK
|
||||
%%DATADIR%%/basis_dalton/aug-cc-pV5Z-MP2-fit
|
||||
%%DATADIR%%/basis_dalton/aug-cc-pV6Z
|
||||
%%DATADIR%%/basis_dalton/aug-cc-pV6Z-MP2-fit
|
||||
%%DATADIR%%/basis_dalton/aug-cc-pVDZ
|
||||
%%DATADIR%%/basis_dalton/aug-cc-pVDZ-DK
|
||||
%%DATADIR%%/basis_dalton/aug-cc-pVDZ-MP2-fit
|
||||
%%DATADIR%%/basis_dalton/aug-cc-pVQZ
|
||||
%%DATADIR%%/basis_dalton/aug-cc-pVQZ-DK
|
||||
%%DATADIR%%/basis_dalton/aug-cc-pVQZ-MP2-fit
|
||||
%%DATADIR%%/basis_dalton/aug-cc-pVTZ
|
||||
%%DATADIR%%/basis_dalton/aug-cc-pVTZ-DK
|
||||
%%DATADIR%%/basis_dalton/aug-cc-pVTZ-J
|
||||
%%DATADIR%%/basis_dalton/aug-cc-pVTZ-MP2-fit
|
||||
%%DATADIR%%/basis_dalton/aug-pV7Z
|
||||
%%DATADIR%%/basis_dalton/aug-pc-0_emsl
|
||||
%%DATADIR%%/basis_dalton/aug-pc-1_emsl
|
||||
%%DATADIR%%/basis_dalton/aug-pc-2_emsl
|
||||
%%DATADIR%%/basis_dalton/aug-pc-3_emsl
|
||||
%%DATADIR%%/basis_dalton/aug-pc-4_emsl
|
||||
%%DATADIR%%/basis_dalton/aug-pcseg-0
|
||||
%%DATADIR%%/basis_dalton/aug-pcseg-1
|
||||
%%DATADIR%%/basis_dalton/aug-pcseg-2
|
||||
%%DATADIR%%/basis_dalton/aug-pcseg-3
|
||||
%%DATADIR%%/basis_dalton/aug-pcseg-4
|
||||
%%DATADIR%%/basis_dalton/cc-pCV5Z
|
||||
%%DATADIR%%/basis_dalton/cc-pCVDZ
|
||||
%%DATADIR%%/basis_dalton/cc-pCVQZ
|
||||
%%DATADIR%%/basis_dalton/cc-pCVTZ
|
||||
%%DATADIR%%/basis_dalton/cc-pV(5+d)Z
|
||||
%%DATADIR%%/basis_dalton/cc-pV(6+d)Z
|
||||
%%DATADIR%%/basis_dalton/cc-pV(D+d)Z
|
||||
%%DATADIR%%/basis_dalton/cc-pV(Q+d)Z
|
||||
%%DATADIR%%/basis_dalton/cc-pV(T+d)Z
|
||||
%%DATADIR%%/basis_dalton/cc-pV5Z
|
||||
%%DATADIR%%/basis_dalton/cc-pV5Z-DK
|
||||
%%DATADIR%%/basis_dalton/cc-pV5Z-MP2-fit
|
||||
%%DATADIR%%/basis_dalton/cc-pV5Zdenfit
|
||||
%%DATADIR%%/basis_dalton/cc-pV6Z
|
||||
%%DATADIR%%/basis_dalton/cc-pV6Z-MP2-fit
|
||||
%%DATADIR%%/basis_dalton/cc-pVDZ
|
||||
%%DATADIR%%/basis_dalton/cc-pVDZ-DK
|
||||
%%DATADIR%%/basis_dalton/cc-pVDZ-DK3
|
||||
%%DATADIR%%/basis_dalton/cc-pVDZ-MP2-fit
|
||||
%%DATADIR%%/basis_dalton/cc-pVQZ
|
||||
%%DATADIR%%/basis_dalton/cc-pVQZ-DK
|
||||
%%DATADIR%%/basis_dalton/cc-pVQZ-DK3
|
||||
%%DATADIR%%/basis_dalton/cc-pVQZ-MP2-fit
|
||||
%%DATADIR%%/basis_dalton/cc-pVQZdenfit
|
||||
%%DATADIR%%/basis_dalton/cc-pVTZ
|
||||
%%DATADIR%%/basis_dalton/cc-pVTZ-DK
|
||||
%%DATADIR%%/basis_dalton/cc-pVTZ-DK3
|
||||
%%DATADIR%%/basis_dalton/cc-pVTZ-MP2-fit
|
||||
%%DATADIR%%/basis_dalton/cc-pVTZdenfit
|
||||
%%DATADIR%%/basis_dalton/cc-pwCV5Z
|
||||
%%DATADIR%%/basis_dalton/cc-pwCV5Z-DK
|
||||
%%DATADIR%%/basis_dalton/cc-pwCVDZ
|
||||
%%DATADIR%%/basis_dalton/cc-pwCVQZ
|
||||
%%DATADIR%%/basis_dalton/cc-pwCVQZ-DK
|
||||
%%DATADIR%%/basis_dalton/cc-pwCVTZ
|
||||
%%DATADIR%%/basis_dalton/cc-pwCVTZ-DK
|
||||
%%DATADIR%%/basis_dalton/def2_qzvp
|
||||
%%DATADIR%%/basis_dalton/def2_sv_p
|
||||
%%DATADIR%%/basis_dalton/def2_svp
|
||||
%%DATADIR%%/basis_dalton/def2_tzvp
|
||||
%%DATADIR%%/basis_dalton/ecp-sdd-DZ
|
||||
%%DATADIR%%/basis_dalton/ecp-sdd-pseudo
|
||||
%%DATADIR%%/basis_dalton/pV6Z
|
||||
%%DATADIR%%/basis_dalton/pV7Z
|
||||
%%DATADIR%%/basis_dalton/pc-0
|
||||
%%DATADIR%%/basis_dalton/pc-0_emsl
|
||||
%%DATADIR%%/basis_dalton/pc-1
|
||||
%%DATADIR%%/basis_dalton/pc-1_emsl
|
||||
%%DATADIR%%/basis_dalton/pc-2
|
||||
%%DATADIR%%/basis_dalton/pc-2_emsl
|
||||
%%DATADIR%%/basis_dalton/pc-3
|
||||
%%DATADIR%%/basis_dalton/pc-3_emsl
|
||||
%%DATADIR%%/basis_dalton/pc-4
|
||||
%%DATADIR%%/basis_dalton/pc-4_emsl
|
||||
%%DATADIR%%/basis_dalton/pcS-0
|
||||
%%DATADIR%%/basis_dalton/pcS-1
|
||||
%%DATADIR%%/basis_dalton/pcS-2
|
||||
%%DATADIR%%/basis_dalton/pcS-3
|
||||
%%DATADIR%%/basis_dalton/pcS-4
|
||||
%%DATADIR%%/basis_dalton/pcseg-0
|
||||
%%DATADIR%%/basis_dalton/pcseg-1
|
||||
%%DATADIR%%/basis_dalton/pcseg-2
|
||||
%%DATADIR%%/basis_dalton/pcseg-3
|
||||
%%DATADIR%%/basis_dalton/pcseg-4
|
||||
%%DATADIR%%/basis_dalton/raf-r
|
||||
%%DATADIR%%/basis_ecp/ECPCE10SF
|
||||
%%DATADIR%%/basis_ecp/ECPCE10SO
|
||||
%%DATADIR%%/basis_ecp/ECPCE18SF
|
||||
%%DATADIR%%/basis_ecp/ECPCE18SO
|
||||
%%DATADIR%%/basis_ecp/ECPCE28SF
|
||||
%%DATADIR%%/basis_ecp/ECPCE28SO
|
||||
%%DATADIR%%/basis_ecp/ECPCE2SF
|
||||
%%DATADIR%%/basis_ecp/ECPCE2SO
|
||||
%%DATADIR%%/basis_ecp/ECPCE36SF
|
||||
%%DATADIR%%/basis_ecp/ECPCE36SO
|
||||
%%DATADIR%%/basis_ecp/ECPCE46SF
|
||||
%%DATADIR%%/basis_ecp/ECPCE46SO
|
||||
%%DATADIR%%/basis_ecp/ECPCE46_TZ
|
||||
%%DATADIR%%/basis_ecp/ECPCE60SF
|
||||
%%DATADIR%%/basis_ecp/ECPCE60SO
|
||||
%%DATADIR%%/basis_ecp/ECPCE68SF
|
||||
%%DATADIR%%/basis_ecp/ECPCE68SO
|
||||
%%DATADIR%%/basis_ecp/ECPDS10MDFSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS10MDFSO
|
||||
%%DATADIR%%/basis_ecp/ECPDS10MHFSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS10MWBSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS10SDFSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS18MHFSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS18MWBSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS18SDFSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS18SHFSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS28MDFSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS28MDFSO
|
||||
%%DATADIR%%/basis_ecp/ECPDS28MHFSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS28MWBSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS28MWBSO
|
||||
%%DATADIR%%/basis_ecp/ECPDS28SDFSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS28SHFSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS2MHFSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS2MWBSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS2SDFSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS36MWBSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS36SDFSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS36SHFSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS46MDFSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS46MDFSO
|
||||
%%DATADIR%%/basis_ecp/ECPDS46MHFSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS46MWBSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS46SDFSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS46SHFSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS47MHFSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS47MWBSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS48MHFSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS48MWBSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS49MHFSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS49MWBSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS50MHFSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS50MWBSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS51MHFSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS51MWBSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS52MHFSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS52MWBSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS53MHFSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS53MWBSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS54MHFSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS54MWBSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS54SDFSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS54SHFSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS55MHFSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS55MWBSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS56MHFSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS56MWBSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS57MHFSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS57MWBSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS58MHFSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS58MWBSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS59MHFSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS59MWBSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS60MDFSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS60MDFSO
|
||||
%%DATADIR%%/basis_ecp/ECPDS60MHFSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS60MWBSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS60MWBSO
|
||||
%%DATADIR%%/basis_ecp/ECPDS68MDFSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS68MWBSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS78MDFSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS78MDFSO
|
||||
%%DATADIR%%/basis_ecp/ECPDS78MHFSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS78MWBSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS78SDFSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS78SHFSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS79MWBSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS80MWBSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS81MWBSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS82MWBSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS83MWBSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS84MWBSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS85MWBSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS86MWBSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS87MWBSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS88MWBSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS89MWBSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS90MWBSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS91MWBSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS92MDFBQSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS92MDFBQSO
|
||||
%%DATADIR%%/basis_ecp/ECPDS92MDFBQ_QZVP
|
||||
%%DATADIR%%/basis_ecp/ECPDS92MDFBSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS92MDFBSO
|
||||
%%DATADIR%%/basis_ecp/ECPDS92MDFB_QZVP
|
||||
%%DATADIR%%/basis_ecp/ECPDS92MDFSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS92MHFSF
|
||||
%%DATADIR%%/basis_ecp/ECPDS92MWBSF
|
||||
%%DATADIR%%/basis_ecp/ECPHW10SF
|
||||
%%DATADIR%%/basis_ecp/ECPHW18SF
|
||||
%%DATADIR%%/basis_ecp/ECPHW28SF
|
||||
%%DATADIR%%/basis_ecp/ECPHW36SF
|
||||
%%DATADIR%%/basis_ecp/ECPHW46SF
|
||||
%%DATADIR%%/basis_ecp/ECPHW54SF
|
||||
%%DATADIR%%/basis_ecp/ECPHW60SF
|
||||
%%DATADIR%%/basis_ecp/ECPHW68SF
|
||||
%%DATADIR%%/basis_ecp/ECPHW78SF
|
||||
%%DATADIR%%/basis_ecp/ECPSB10SF
|
||||
%%DATADIR%%/basis_ecp/ECPSB2SF
|
||||
%%DATADIR%%/cf_addlabels.x
|
||||
%%DATADIR%%/cfread.x
|
||||
%%DATADIR%%/diag.x
|
||||
%%DATADIR%%/dirac.x
|
||||
%%DATADIR%%/dirac_data.py
|
||||
%%DATADIR%%/dirac_mointegral_export.x
|
||||
%%DATADIR%%/labread.x
|
||||
%%DATADIR%%/mx2fit.x
|
||||
%%DATADIR%%/pam
|
||||
%%DATADIR%%/pcmo_addlabels.x
|
||||
%%DATADIR%%/polfit.x
|
||||
%%DATADIR%%/process_schema.py
|
||||
%%DATADIR%%/rspread.x
|
||||
%%DATADIR%%/test_allocator.x
|
||||
%%DATADIR%%/twofit.x
|
||||
%%DATADIR%%/vibcal.x
|
||||
Reference in New Issue
Block a user